SCHEMBL5025655

SCHEMBL5025655

Clc1cccc(-c2nc(Cl)nc3ccc(Br)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
AVPR1A P37288 1/20 0.54
HTT P42858 2/20 0.53
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
PRNP P04156 2/20 0.49
OPRK1 P41145 1/20 0.47
PTGFR P43088 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PTGES O14684 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRP O00591 1/20 0.43

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
SCHEMBL26565406 0.82 PRNP (0.56) KMT2AMEN1HTTKDM4EMAPT
SCHEMBL19293871 0.81 KDM4E (0.59) KMT2AMEN1HTTKDM4EMAPT
SCHEMBL3116382 0.79 HTT (0.55) KMT2AHTTKDM4EMAPTALDH1A1
SCHEMBL3486575 0.78 KDM4E (0.71) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL1757804 0.77 MEN1 (0.54) KMT2AMEN1AVPR1AHTTKDM4E
SCHEMBL14039064 0.76 CSNK2A2 (0.47) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL15647747 0.75 MEN1 (0.53) KMT2AMEN1AVPR1AHTTKDM4E
SCHEMBL182940 0.75 L3MBTL1 (0.51) KMT2AMEN1HTTKDM4EMAPT
SCHEMBL18089101 0.75 DHODH (0.68) KMT2AMEN1AVPR1APTGFRDHODH
SCHEMBL25929656 0.73 MAPT (0.46) KMT2AMEN1HTTKDM4EMAPT

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
EP-1322650-B1 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
US-7196094-B2 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-27 US disclosed
US-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-06 US disclosed
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL 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

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-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives FNTA, FNTB, RCE1 KMT2A 2337/4885MEN1 1318/4885AVPR1A 4601/4885

“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.