SCHEMBL1617844

SCHEMBL1617844

Cc1cc2cc(Nc3ccnc4cc(C(F)(F)F)ccc34)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 3/20 0.54
RIPK2 O43353 2/20 0.47
ABL1 P00519 2/20 0.47
EPHB6 O15197 1/20 0.47
LCK P06239 1/20 0.47
EPHA1 P21709 1/20 0.47
EPHA8 P29322 1/20 0.47
TXK P42681 1/20 0.47
COQ8A Q8NI60 1/20 0.47
NLK Q9UBE8 1/20 0.47
TGFBR1 P36897 1/20 0.45
KDR P35968 3/20 0.45
MAPK14 Q16539 1/20 0.45
EGFR P00533 5/20 0.44
FLT1 P17948 4/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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) KDREGFR
SCHEMBL29089850 0.80 GAK (0.65) GAKRIPK2ABL1EPHB6LCK
SCHEMBL29200468 0.75 GAK (0.61) GAKRIPK2ABL1EPHB6LCK
SCHEMBL5929206 0.75 GAK (0.58) GAKRIPK2ABL1EPHB6LCK
SCHEMBL29200458 0.75 GAK (0.64) GAKRIPK2ABL1EPHB6LCK
SCHEMBL4878852 0.72 AURKA (0.71) LCKSYK
SCHEMBL317290 0.72 MAPT (0.56) BRD4
SCHEMBL23657809 0.72 SYK (0.57) KDRSYK
SCHEMBL28845712 0.72 EGFR (0.66) GAKRIPK2ABL1EPHB6LCK
SCHEMBL28845654 0.72 GAK (0.58) GAKRIPK2ABL1EPHB6LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516273-A 2007-06-21 JP claimed
CN-1890234-A Novel quinoline derivatives PFIZER (US) 2007-01-03 CN 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 GAK 2061/4885RIPK2 4029/4885ABL1 374/4885

“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.