SCHEMBL1383320

SCHEMBL1383320

COc1ccc(Cc2cnc(NC3CCC(C(C)C)CC3)c3ccccc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ GRM4 Q14833 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CHRNA7 P36544 2/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TRPV6 Q9H1D0 1/20 0.34
▸ PDE6A P16499 1/20 0.34
▸ KAT2B Q92831 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL6221506 1.00 KCNH2 (0.41) KCNH2GRM4KDM1AMAOAMAOB
SCHEMBL4828194 0.89 GRM4 (0.45) KCNH2GRM4KDM1AMAOAMAOB
SCHEMBL1384788 0.87 KCNH2 (0.39) KCNH2KDM1AMAOAMAOBCHRNA7
SCHEMBL1382638 0.86 GRM4 (0.38) KCNH2GRM4MAPK1CYP3A4USP2
SCHEMBL6226746 0.86 GRM4 (0.38) KCNH2GRM4MAPK1CYP3A4USP2
SCHEMBL1929839 0.85 KDR (0.42) KCNH2GRM4KDM1AMAOAMAOB
SCHEMBL1387010 0.80 IRAK4 (0.38) GRM4MAPK1PDE5ACYP3A4USP2
SCHEMBL4832226 0.80 IRAK4 (0.38) GRM4MAPK1PDE5ACYP3A4USP2
SCHEMBL1382994 0.78 GRM4 (0.40) KCNH2GRM4LMNA
SCHEMBL4830087 0.74 GRM4 (0.47) GRM4KAT2BLMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837864-B2 — — 2011-12-14 — — JP claimed
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 — — US claimed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP claimed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 — — US claimed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 — — US claimed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 — — US claimed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP claimed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — WO claimed
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 2601/4885GRM4 3442/4885KDM1A 967/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KCNH2 2850/4885GRM4 3225/4885KDM1A 1212/4885

“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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