Isoquinoline

Isoquinoline

SCHEMBL3607434

c1ccc2cnccc2c1.c1ncc2nc[nH]c2n1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK1 P49759 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IKBKE Q14164 1/20 0.34

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 SCHEMBL760382 0.84 EGFR (0.65) EGFRKDM4EALDH1A1GLAGAA
Quinoline SCHEMBL3706558 0.82 ALDH1A1 (0.52) EGFRKDM4AKDM4BKDM5CKDM4C
Acridine SCHEMBL3851263 0.80 ALDH1A1 (0.47) EGFRKDM4EALDH1A1GLAGAA
Purine SCHEMBL2120547 0.80 KDM4A (0.38) EGFRKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL3157 0.80
Purine SCHEMBL29456595 0.80
Purine SCHEMBL6421376 0.80 KDM4A (0.38) EGFRKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL1415387 0.79 KDM4A (0.37) EGFRKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL7728593 0.79 KDM4A (0.37) EGFRKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL625350 0.79 KDM4A (0.37) EGFRKDM4AKDM4BKDM5CKDM4C

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 29 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 EGFR 2849/4885KDM4A 1197/4885KDM4B 964/4885
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT EGFR 2849/4885KDM4A 1197/4885KDM4B 964/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 EGFR 359/4885KDM4A 3279/4885KDM4B 3523/4885
US-20140288096-A1 P13 KINASE ANTAGONISTS AKT3, PRKD3, CDK13 EGFR 1210/4885KDM4A 3599/4885KDM4B 4005/4885
US-20060252926-A1 Process for the preparation of pregnanes CYP17A1, CYP21A2, NR5A1 EGFR 2894/4885KDM4A 4660/4885KDM4B 4621/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 EGFR 359/4885KDM4A 3279/4885KDM4B 3523/4885

“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.