SCHEMBL5782307

SCHEMBL5782307

O=c1cc(Oc2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.76
FNTA P49354 1/20 0.73
FNTB P49356 1/20 0.73
CYP19A1 P11511 11/20 0.54
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TBXAS1 P24557 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP17A1 P05093 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
SCHEMBL6303535 0.84 FNTA (1.00) CNR1FNTAFNTBCYP19A1CYP1A2
SCHEMBL5756709 0.79 FNTA (0.70) CNR1FNTAFNTBCYP19A1CYP1A2
SCHEMBL4156125 0.79 FNTA (0.85) CNR1FNTAFNTBCYP19A1CYP1A2
SCHEMBL6866443 0.78 FNTA (0.88) CNR1FNTAFNTBCYP19A1CYP3A4
SCHEMBL5781643 0.78 RHEB (0.47) CNR1FNTAFNTB
SCHEMBL3217241 0.75 MEN1 (0.60) CYP1A2CYP3A4
SCHEMBL6872273 0.75 FNTA (0.69) CNR1FNTAFNTBCYP19A1CYP1A2
SCHEMBL6305490 0.75 FNTA (0.81) CNR1FNTAFNTBCYP19A1CYP3A4
SCHEMBL11366789 0.73 CYP19A1 (1.00) CNR1FNTAFNTBCYP19A1CYP1A2
SCHEMBL5561624 0.72 FNTA (0.66) CNR1FNTAFNTBCYP19A1CYP1A2

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-7129356-B2 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-31 US disclosed
EP-1347966-B1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-03-08 EP disclosed
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-01 US disclosed
EP-1347966-A1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-01 EP disclosed
WO-2002051835-A1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED 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 (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-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives FNTA, FNTB, CYP7A1 CNR1 1830/4885FNTA 1/4885FNTB 2/4885

“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.