SCHEMBL5756709

SCHEMBL5756709

O=c1cc(-n2ccnc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.70
FNTB P49356 1/20 0.70
CNR1 P21554 5/20 0.65
CYP19A1 P11511 11/20 0.54
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP26A1 O43174 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP24A1 Q07973 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41

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
SCHEMBL5757123 0.86 FNTA (0.52) FNTAFNTBCNR1
SCHEMBL5755955 0.85 FNTA (0.51) FNTAFNTBCNR1
SCHEMBL6303535 0.82 FNTA (1.00) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL4156125 0.81 FNTA (0.85) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL5782307 0.79 CNR1 (0.76) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL5754794 0.78 FNTA (0.42) FNTAFNTBCNR1
SCHEMBL6872273 0.77 FNTA (0.69) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL25425022 0.76 IDO1 (0.50) CYP19A1
SCHEMBL30415777 0.76 IDO1 (0.50) CYP19A1
SCHEMBL6866443 0.75 FNTA (0.88) FNTAFNTBCNR1CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives ANGIBAUD PATRICK R 2006-06-22 US disclosed
EP-1351954-B1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-05-03 EP disclosed
US-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US disclosed
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 EP disclosed
WO-2002051834-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 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 (2 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-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline FNTA, FNTB, ACAT2 FNTA 1/4885FNTB 2/4885CNR1 1572/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB FNTA 1/4885FNTB 2/4885CNR1 1740/4885

“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.