SCHEMBL2491744

SCHEMBL2491744

COc1ccc(Cn2nc(N)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TYMS P04818 1/20 0.44
CMA1 P23946 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19925941 0.86 POLB (0.50) ALOX15KDM4EALDH1A1MAPTCYP1A2
SCHEMBL19927128 0.84 CYP1A2 (0.46) ALOX15KDM4EALDH1A1MAPTCYP1A2
SCHEMBL1197498 0.84 LMNA (0.68) ALOX15KDM4EALDH1A1MAPTLMNA
SCHEMBL3169680 0.82 POLB (0.61) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18096004 0.81 KDM4E (0.51) ALOX15KDM4EALDH1A1MAPTCYP1A2
SCHEMBL1197496 0.81 ALDH1A1 (0.51) ALOX15KDM4EALDH1A1MAPTCYP1A2
SCHEMBL2360443 0.81 SLC2A1 (0.58) ALDH1A1LMNASMN1; SMN2GAARAB9A
SCHEMBL21288734 0.81 KDM4E (0.47) ALOX15KDM4EALDH1A1MAPTCYP1A2
SCHEMBL17627070 0.80 KDM4E (0.56) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL22412857 0.80 MAPT (0.50) ALOX15KDM4EALDH1A1MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177396-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2025-06-05 US disclosed
EP-4482833-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Repare Therapeutics Inc. (CA) 2025-01-01 EP disclosed
CN-118946560-A POLO-like kinase 4 (PLK 4) inhibitors, pharmaceutical compositions, methods for their preparation and uses 修复治疗公司 2024-11-12 CN disclosed
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMA (US) 2024-11-07 US disclosed
WO-2023159307-A9 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2024-03-21 WO disclosed
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 US disclosed
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 WO disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 US disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 US disclosed
EP-2379557-B1 AMINO PYRAZOLE COMPOUND LILLY CO ELI (US) 2012-10-31 EP disclosed
EP-2379557-A1 AMINO PYRAZOLE COMPOUND Eli Lilly and Company (US) 2011-10-26 EP disclosed
US-7897600-B2 Amino pyrazole compound ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-20100286139-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-11-11 US disclosed
WO-2010074947-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-07-01 WO disclosed
US-20100152181-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286139-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML ALOX15 4005/4885KDM4E 580/4885ALDH1A1 2620/4885
US-20250177396-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF PLK4, PLK2, PLK3 ALOX15 3707/4885KDM4E 752/4885ALDH1A1 2707/4885
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 ALOX15 2089/4885KDM4E 4114/4885ALDH1A1 1912/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 ALOX15 2089/4885KDM4E 4114/4885ALDH1A1 1912/4885
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 ALOX15 2089/4885KDM4E 4114/4885ALDH1A1 1912/4885
US-20100152181-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML ALOX15 4005/4885KDM4E 580/4885ALDH1A1 2620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.