SCHEMBL4926082

SCHEMBL4926082

CCOC(=O)C(C#N)C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL9705616 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2085800 0.81 SMN1; SMN2 (0.32) ALDH1A1TSHRSMN1; SMN2
Ethane SCHEMBL20528153 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL31074909 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL3975055 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4370229 0.75 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRGAA
Water SCHEMBL1771150 0.75 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL9068703 0.74 ALDH1A1 (0.40) ALDH1A1GAAHTTLMNAL3MBTL1
SCHEMBL20551621 0.74 L3MBTL1 (0.36) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL23473944 0.72 ALDH1A1 (0.39) KMT2AALDH1A1GAAHTTLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-03-02 US disclosed
EP-4077329-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER Imperial College Innovations Limited (GB) 2022-10-26 EP disclosed
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO 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 (2 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-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER DPYD, ABCC1, TYMP MEN1 1923/4885KMT2A 2582/4885ALDH1A1 213/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 MEN1 2030/4885KMT2A 3849/4885ALDH1A1 4305/4885

“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.