SCHEMBL1617583

SCHEMBL1617583

Cc1cc2cc(Nc3ccnc4c(Cl)cccc34)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
PTK6 Q13882 3/20 0.47
SYK P43405 1/20 0.47
EGFR P00533 7/20 0.46
FLT1 P17948 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
VCP P55072 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL1618384 0.82 KDR (0.59) KDREGFRHTT
SCHEMBL4741727 0.76 FADS1 (0.68) KDRPTK6EGFRSMN1; SMN2KDM4E
SCHEMBL6071379 0.75 PTK6 (0.59) KDRPTK6EGFRSMN1; SMN2KDM4E
SCHEMBL4879974 0.74 AURKA (0.62) KDRSYK
SCHEMBL6359514 0.74 MAOB (0.46) KDREGFRFLT1MAOAMAOB
SCHEMBL14024361 0.73 AURKA (0.51) KDRSYK
SCHEMBL879559 0.73 ROCK2 (0.52) KDRSYKEGFRFLT1ALDH1A1
SCHEMBL1617844 0.72 GAK (0.54) KDRPTK6SYKEGFRFLT1
SCHEMBL4875875 0.70 IGF1R (0.58) KDRSYKEGFRMAOAMAOB
SCHEMBL7119392 0.70 EGFR (0.62) KDRSYKEGFRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516273-A 2007-06-21 JP claimed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 EP claimed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 WO claimed
US-20050137395-A1 Novel quinoline derivatives AGOURON PHARMACEUTICALS, INC. 2005-06-23 US claimed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
CN-1890234-A Novel quinoline derivatives PFIZER (US) 2007-01-03 CN disclosed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 EP disclosed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 WO disclosed
US-20050137395-A1 Novel quinoline derivatives AGOURON PHARMACEUTICALS, INC. 2005-06-23 US 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 (1 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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 KDR 4516/4885PTK6 3013/4885SYK 3944/4885

“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.