SCHEMBL3569070

SCHEMBL3569070

CN(C)C(=O)c1cc2nccc(Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
GRIN3B O60391 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2C Q14957 6/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL307433 0.89 GRIN3B (0.36) METKDRSMN1; SMN2LMNANPC1
SCHEMBL4593226 0.86 GRIN3B (0.37) METKDRSMN1; SMN2LMNANPC1
SCHEMBL5242906 0.85 KMT2A (0.41) KDRSMN1; SMN2LMNANPC1HPGD
SCHEMBL5242875 0.85 HRH4 (0.42) KDRSMN1; SMN2LMNANPC1HPGD
SCHEMBL10288661 0.83 USP7 (0.42) CCNCCDK8SMN1; SMN2NPC1GRIN3B
SCHEMBL5243258 0.83 KMT2A (0.40) SMN1; SMN2LMNANPC1HPGDGRIN3B
SCHEMBL6302251 0.82 HDAC3 (0.44) NPC1HDAC3TUBB4ATUBBTUBA3C
SCHEMBL306971 0.82 GRIN3B (0.43) KDRSMN1; SMN2LMNANPC1GRIN3B
SCHEMBL198179 0.81 GRIN3B (0.38) NPC1HPGDGRIN3BGRIN1GRIN2C
SCHEMBL199636 0.81 DAO (0.46) KDRGRIN3BGRIN1GRIN2CGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20050090509-A1 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents Agouron Pharmaceuticals,Inc. 2005-04-28 US disclosed
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. 2005-03-31 US disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 US disclosed
WO-2005021554-A1 THIENOPYRIDINE-PHENYLACET AMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 WO disclosed
EP-1287001-B1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-29 EP disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 US disclosed
EP-1287001-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2003-03-05 EP disclosed
US-20020042409-A1 Thiophene derivatives useful as anticancer agents PFIZER PRODUCTS INC. 2002-04-11 US disclosed
WO-2001094353-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2001-12-13 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 (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-20050090509-A1 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents CCNA1, PGF, CCNA2 ICAM1 3523/4885SELE 3340/4885VCAM1 661/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 ICAM1 852/4885SELE 1608/4885VCAM1 85/4885
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP ICAM1 4831/4885SELE 4530/4885VCAM1 4438/4885
US-20020042409-A1 Thiophene derivatives useful as anticancer agents TP53, RCC1, CCNA1 ICAM1 4299/4885SELE 3048/4885VCAM1 3298/4885
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents CCNA1, CCNA2, CCNT1 ICAM1 3621/4885SELE 2725/4885VCAM1 767/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP ICAM1 4831/4885SELE 4530/4885VCAM1 4438/4885

“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.