SCHEMBL4824943

SCHEMBL4824943

COc1ccc(Cc2cnc(Cl)c3ccccc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PDE10A Q9Y233 6/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.37
NAMPT P43490 1/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL4832584 0.84 CYP2C9 (0.40) KCNH2CYP2C9CYP11B1KDM1AMAOA
SCHEMBL1931675 0.80 KDR (0.44) CYP2C9KDM1AMAOAMAOBKDR
SCHEMBL4830003 0.78 CYP11B1 (0.42) KCNH2CYP11B1CYP11B2
SCHEMBL4824964 0.77 PDE10A (0.41) KCNH2CYP2C9PDE10AKDM1AMAOA
SCHEMBL7128318 0.77 MET (0.42) CYP11B1CYP11B2
SCHEMBL7283731 0.75 LTA4H (0.47) KDM1AMAOAMAOBTSHRHRH1
SCHEMBL4824674 0.75 CYP2C9 (0.48) KCNH2CYP2C9CYP2C19TSHRNAMPT
SCHEMBL1601388 0.74 LTA4H (0.55) CYP11B1CYP11B2KDM1AMAOAMAOB
SCHEMBL3159683 0.73 CYP11B1 (0.44) CYP11B1CYP11B2KDR
SCHEMBL1385506 0.73 KDR (0.44) KCNH2KDM1ATSHRKDRNAMPT

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 KCNH2 2601/4885CYP2C9 722/4885CYP11B1 131/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KCNH2 2850/4885CYP2C9 824/4885CYP11B1 293/4885

“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.