SCHEMBL3933103

SCHEMBL3933103

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3ncccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.37
POLB P06746 2/20 0.35
PLK1 P53350 2/20 0.35
F11 P03951 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX3 P56373 1/20 0.34
PABPC1 P11940 1/20 0.33
AR P10275 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL3933828 0.95 GPR55 (0.36) NPC1RAB9AHTTALOX15POLB
SCHEMBL5859779 0.92 RAB9A (0.36) NPC1RAB9AHTTPOLBPLK1
SCHEMBL227304 0.87 KDR (0.36) NPC1RAB9APOLBPLK1SMN1; SMN2
SCHEMBL3933106 0.87 NPC1 (0.40) NPC1RAB9AHTTALOX15POLB
SCHEMBL5858115 0.87 NPC1 (0.40) NPC1RAB9AHTTALOX15POLB
SCHEMBL3933521 0.86 RAB9A (0.39) NPC1RAB9AHTTALOX15POLB
SCHEMBL5858294 0.86 RAB9A (0.39) NPC1RAB9AHTTALOX15POLB
SCHEMBL5856822 0.86 BACE1 (0.36) NPC1POLBPLK1CSF1RTGM2
SCHEMBL4500469 0.85 LRRK2 (0.35) NPC1RAB9AALOX15POLBMAPT
SCHEMBL3943046 0.85 NPC1 (0.33) NPC1POLBPLK1HDAC1CSF1R

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 NPC1 4723/4885RAB9A 3709/4885HTT 4263/4885

“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.