Isoquinoline

Isoquinoline

SCHEMBL3607439

c1ccc2cnccc2c1.c1ncc2[nH]cnc2n1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.42
METAP2 P50579 3/20 0.41
METAP1 P53582 2/20 0.41
EGFR P00533 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TDO2 P48775 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HASPIN Q8TF76 2/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Quinazoline SCHEMBL760383 0.83 EGFR (0.62) CDK2METAP2METAP1EGFRALDH1A1
Purine SCHEMBL5694230 0.81 METAP2 (0.43) CDK2METAP2METAP1EGFRALDH1A1
Quinoline SCHEMBL3706561 0.81 ALDH1A1 (0.50) CDK2METAP2METAP1EGFRALDH1A1
Purine SCHEMBL12003983 0.80 ALDH1A1 (0.44) CDK2METAP2METAP1ALDH1A1KDM4E
Purine SCHEMBL30862524 0.80
Purine SCHEMBL29365913 0.80
Purine SCHEMBL3158 0.80
Purine SCHEMBL29703771 0.80 ALDH1A1 (0.47) CDK2METAP2METAP1ALDH1A1KDM4E
Purine SCHEMBL2120554 0.80 ALDH1A1 (0.47) CDK2METAP2METAP1ALDH1A1KDM4E
Purine SCHEMBL6421380 0.80 ALDH1A1 (0.47) CDK2METAP2METAP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
US-9493467-B2 PI3 kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-15 US disclosed
EP-2015752-B1 P13 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2015-06-03 EP disclosed
US-20140288096-A1 P13 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-25 US disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2004654-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2013-05-22 EP disclosed
EP-2557080-A1 Method for identifying pI3-kinase antagonists The Regents of The University of California (US) 2013-02-13 EP disclosed
EP-2551270-A2 PYRAZOLOPYRMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS The Regents of The University of California (US) 2013-01-30 EP disclosed
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US disclosed
US-20060252926-A1 Process for the preparation of pregnanes SICOR, INC. 2006-11-09 US disclosed
EP-1474435-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA FLUORINATED PREGNANES SICOR INC (US) 2006-02-22 EP disclosed
EP-1474435-A1 PROCESS FOR THE PREPARATION OF PREGNANES Sicor Inc. (US) 2004-11-10 EP disclosed
US-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
WO-2004052911-A1 PROCESS FOR THE PREPARATION OF PREGNANES SICOR INC. (US) 2004-06-24 WO disclosed
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds INDOLESE ADRIANO (CH) 2003-09-25 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
US-6548684-B2 Using monophosphine palladium complex catalyst SOLVIAS AG (SE) 2003-04-15 US disclosed
US-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2001-11-01 US disclosed
EP-1132361-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds Solvias AG (CH) 2001-09-12 EP 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-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT CDK2 2467/4885METAP2 2810/4885METAP1 3461/4885
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT CDK2 2467/4885METAP2 2810/4885METAP1 3461/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 CDK2 198/4885METAP2 2516/4885METAP1 2524/4885
US-20140288096-A1 P13 KINASE ANTAGONISTS AKT3, PRKD3, CDK13 CDK2 136/4885METAP2 3131/4885METAP1 2302/4885
US-20060252926-A1 Process for the preparation of pregnanes CYP17A1, CYP21A2, NR5A1 CDK2 2611/4885METAP2 3136/4885METAP1 2682/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 CDK2 198/4885METAP2 2516/4885METAP1 2524/4885

“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.