Sugi Predict

Sugi Predict / Compounds / SCHEMBL4171846

SCHEMBL4171846

SCHEMBL4171846

COc1ccc(C(C#N)C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.49
▸ GAA P10253 3/20 0.49
▸ CYP2A6 P11509 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL4441582 0.85 AKR1C3 (0.49) CYP2A6LMNATSHRCYP1A2MAPT
SCHEMBL1854640 0.82 ALDH1A3 (0.50) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4168433 0.81 ALDH1A1 (0.41) ALDH1A1GAAMAPT
SCHEMBL13278546 0.81 NQO1 (0.47) GAALMNACA12CA1CA2
SCHEMBL4170506 0.80 CHRM2 (0.46) L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL1853478 0.79 DRD1 (0.46) ALDH1A1HTTLMNASMN1; SMN2TSHR
SCHEMBL2553737 0.79 ALDH1A1 (0.40) ALDH1A1GAACYP2A6HTTLMNA
SCHEMBL1057669 0.77 ACHE (0.54) ALDH1A1GAAHTTLMNACA1
SCHEMBL2542920 0.75 ALDH1A1 (0.40) ALDH1A1GAACYP2A6LMNASMN1; SMN2
SCHEMBL2550741 0.75 LMNA (0.46) ALDH1A1HTTLMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
CN-112469414-A Highly potent TACC3 inhibitor as novel candidate anticancer drug 昂科库博疗法有限责任公司 2021-03-09 — — CN disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 — — US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 — — US disclosed
EP-1922321-A1 PYRAZOLOÝ1,5-A¨PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Eirx Therapeutics Ltd (IE) 2008-05-21 — — EP disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 — — WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 — — WO disclosed
WO-2007017678-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EIRX THERAPEUTICS LIMITED (IE) 2007-02-15 — — WO disclosed
WO-2007017678-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EIRX THERAPEUTICS LIMITED (IE) 2007-02-15 — — WO disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 — — EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 — — US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 — — WO disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 — — EP disclosed
US-4228097-A Method of preparing α-hydroxymethylene nitriles DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1980-10-14 — — 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 (5 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885GAA 306/4885CYP2A6 4059/4885
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 ALDH1A1 578/4885GAA 3955/4885CYP2A6 3866/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885GAA 651/4885CYP2A6 1967/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885GAA 651/4885CYP2A6 1967/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 ALDH1A1 3714/4885GAA 306/4885CYP2A6 4059/4885

“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.