SCHEMBL5757586

SCHEMBL5757586

Cc1ccnc2ccc(C(=O)c3ccc(Cl)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.42
SRD5A2 P31213 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NR4A2 P43354 1/20 0.41
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL5757121 0.85 MAPKAPK2 (0.45) MAPKAPK2HTTMAPK1SRD5A2HPGD
SCHEMBL17025564 0.82 MAPKAPK2 (0.43) MAPKAPK2HTTMAPK1SRD5A2HPGD
SCHEMBL5757564 0.81 LMNA (0.52) MAPKAPK2HTTMAPK1SRD5A2HPGD
SCHEMBL5758369 0.81 MAPKAPK2 (0.43) MAPKAPK2HTTMAPK1SRD5A2HPGD
SCHEMBL4641324 0.80 TDP1 (0.50) MAPKAPK2HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL6862365 0.79 PIK3CA (0.51) MAPKAPK2HTTMAPK1SRD5A2HPGD
SCHEMBL827782 0.79 NR4A2 (0.61) MAPKAPK2HTTMAPK1HPGDSMN1; SMN2
SCHEMBL21620547 0.78 KDM4E (0.47) MAPK1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL19657529 0.76 PLK1 (0.57) HPGDSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9907324 0.76 ALOX15 (0.57) HTTMAPK1HPGDSMN1; SMN2L3MBTL1

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 10 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
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
EP-1347966-B1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-03-08 EP disclosed
US-20040067968-A1 Farnesyl transferase inhibiting 4-heterocyclyl quinoline and quinazoline JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US disclosed
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-01 US disclosed
EP-1351954-A1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-15 EP 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
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 (3 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 MAPKAPK2 1601/4885HTT 4526/4885MAPK1 1797/4885
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives FNTA, FNTB, CYP7A1 MAPKAPK2 1798/4885HTT 4766/4885MAPK1 1808/4885
US-20060135769-A1 Farnesyl transferase inhibiting 4-heterocyclyl-quinoline and quinazoline derivatives FNTA, FNTB, RABGGTB MAPKAPK2 1214/4885HTT 4268/4885MAPK1 2091/4885

“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.