SCHEMBL3944829

SCHEMBL3944829

CCN(CC)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3ncccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 2/20 0.39
P2RX3 P56373 3/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
APP P05067 1/20 0.35
NR4A2 P43354 1/20 0.35
F11 P03951 1/20 0.35
PARP1 P09874 1/20 0.34
PLK1 P53350 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL5858272 1.00 F10 (0.40) F10NPC1RAB9AHTTP2RX3
SCHEMBL5859767 0.94 F10 (0.40) F10NPC1RAB9AHTTMAPK1
SCHEMBL3931791 0.94 F10 (0.40) F10NPC1RAB9AHTTMAPK1
SCHEMBL3944786 0.92 NPC1 (0.40) F10NPC1RAB9AHTTP2RX3
SCHEMBL5859771 0.92 NPC1 (0.40) F10NPC1RAB9AHTTP2RX3
SCHEMBL3935821 0.90 F10 (0.42) F10NPC1RAB9AMAPK1APP
SCHEMBL5857319 0.90 F10 (0.42) F10NPC1RAB9AMAPK1APP
SCHEMBL5857122 0.88 NPC1 (0.40) NPC1RAB9AHTTP2RX3ALOX15
SCHEMBL3943456 0.88 NPC1 (0.40) NPC1RAB9AHTTP2RX3ALOX15
SCHEMBL3938405 0.85 F10 (0.38) F10NPC1RAB9AHTTHDAC6

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-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 F10 2482/4885NPC1 4723/4885RAB9A 3709/4885

“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.