SCHEMBL4828194

SCHEMBL4828194

COc1ccc(Cc2cnc(NC3CCC(C(C)C)CC3)c3cccnc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.45
▸ KCNH2 Q12809 1/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ CSF1R P07333 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ATAD2 Q6PL18 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL1383320 0.89 KCNH2 (0.41) GRM4KCNH2MAPK1PDE5AKDM1A
SCHEMBL6221506 0.89 KCNH2 (0.41) GRM4KCNH2MAPK1PDE5AKDM1A
SCHEMBL4830087 0.87 GRM4 (0.47) GRM4
SCHEMBL1929839 0.78 KDR (0.42) GRM4KCNH2MAPK1KDM1AMAOA
SCHEMBL1384788 0.76 KCNH2 (0.39) KCNH2SIRT2PDE5AKDM1AMAOA
SCHEMBL6226746 0.75 GRM4 (0.38) GRM4KCNH2MAPK1CYP3A4CYP2C9
SCHEMBL1382638 0.75 GRM4 (0.38) GRM4KCNH2MAPK1CYP3A4CYP2C9
SCHEMBL1385832 0.74 KDR (0.39) GRM4KCNH2CSF1RKDM1ACYP3A4
SCHEMBL4832584 0.73 CYP2C9 (0.40) KCNH2MAPK1CSF1RKDM1AMAOA
SCHEMBL1387010 0.73 IRAK4 (0.38) GRM4MAPK1PDE5ACYP3A4SYK

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-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 — — US disclosed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP disclosed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 — — US disclosed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 — — US disclosed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 — — US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — 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-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase FLT1, FLT4, KDR GRM4 3442/4885KCNH2 2601/4885SIRT2 2025/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR GRM4 3225/4885KCNH2 2850/4885SIRT2 1746/4885

“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.

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