SCHEMBL308516

SCHEMBL308516

Cn1cncc1-c1cc2nccc(Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
KCNH2 Q12809 1/20 0.38
S1PR1 P21453 1/20 0.38
RIPK2 O43353 2/20 0.37
HPGDS O60760 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
GSK3B P49841 4/20 0.34
DYRK1A Q13627 4/20 0.34
PLK1 P53350 1/20 0.34
MCHR1 Q99705 1/20 0.33
LDLR P01130 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
LRRK2 Q5S007 1/20 0.32
BDKRB2 P30411 1/20 0.32
WNT1 P04628 1/20 0.32
CLK2 P49760 1/20 0.32

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
SCHEMBL308797 0.83 HTR7 (0.39) KCNH2HTR1AHTR7HTR6MCHR1
SCHEMBL7121135 0.80 NPC1 (0.32) MCHR1
SCHEMBL5240858 0.78 ALDH1A1 (0.40) S1PR1RIPK2MCHR1CYP1A2
SCHEMBL7125272 0.77 RIPK2 (0.41) RIPK2HPGDSLDLRPCSK9
SCHEMBL306285 0.75 MET (0.43)
SCHEMBL306628 0.75 MET (0.40) RIPK2MCHR1LRRK2BDKRB2
SCHEMBL7675341 0.74 PGR (0.34) MCHR1
SCHEMBL10254634 0.74 MCHR1 (0.34) MCHR1
SCHEMBL7122716 0.74 MCHR1 (0.33) MCHR1
SCHEMBL7667702 0.74 MCHR1 (0.31) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 US disclosed
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US disclosed
US-20020004511-A1 Thiophene derivatives useful as anticancer agents LUZZIO MICHAEL JOSEPH (US) 2002-01-10 US disclosed
CN-1280580-A Thienopyrimidine and thienopyridine derivatives as anticancer agents PFIZER PROD INC (US) 2001-01-17 CN disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 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 (5 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-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents TK1, TYMP, DPYD IDO1 1346/4885KCNH2 3889/4885S1PR1 344/4885
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 IDO1 1159/4885KCNH2 2509/4885S1PR1 781/4885
US-20020004511-A1 Thiophene derivatives useful as anticancer agents CCNA1, CCNE1, TP53 IDO1 2450/4885KCNH2 3667/4885S1PR1 820/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 IDO1 4238/4885KCNH2 4750/4885S1PR1 453/4885
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 IDO1 1121/4885KCNH2 2659/4885S1PR1 569/4885

“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.