SCHEMBL5545677

SCHEMBL5545677

COc1cc(-c2cccc(Cl)c2)c2cc(C=O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
NR1I3 Q14994 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
MAT2A P31153 1/20 0.39
IP6K1 Q92551 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.36
ADORA1 P30542 1/20 0.36
AGPAT2 O15120 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL1757872 0.81 MEN1 (0.49) LTB4RAURKAAURKBNR1I3KDM4E
SCHEMBL5656596 0.78 LTB4R (0.46) LTB4RAURKAAURKBNR1I3KDM4E
SCHEMBL5655139 0.76 LTB4R (0.44) LTB4RAURKAAURKBNR1I3MAT2A
SCHEMBL6866707 0.75 LTB4R (0.48) LTB4RAURKAAURKBNR1I3MAT2A
SCHEMBL5657985 0.75 LTB4R (0.43) LTB4RAURKAAURKBNR1I3NPC1
SCHEMBL1223679 0.75 TRPM5 (0.45) KDM4EALDH1A1POLBMEN1NPC1
SCHEMBL29405127 0.74 PDE4D (0.52) ALDH1A1MAPTAGPAT2
SCHEMBL13578465 0.74 PDE4D (0.52) ALDH1A1MAPTAGPAT2
SCHEMBL6010167 0.73 LTB4R (0.42) LTB4RAURKAAURKBNR1I3
SCHEMBL5549184 0.73 LTB4R (0.42) LTB4RAURKAAURKBNR1I3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196094-B2 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-27 US disclosed
US-7173040-B2 Farnesyl transferase inhibiting 6-[(substituted phenyl)methyl]-quinoline and quinazoline derinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-06 US disclosed
US-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties JANSSEN-CILAG S.A. (FR) 2004-03-11 US disclosed
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
EP-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024686-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 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 (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-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties FNTB, FNTA, CYP7A1 LTB4R 2050/4885AURKA 1783/4885AURKB 1415/4885

“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.