SCHEMBL3931789

SCHEMBL3931789

CC(=O)N(CCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3cccnc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.35
LIMK1 P53667 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PLK1 P53350 5/20 0.34
F11 P03951 2/20 0.33
TGM2 P21980 1/20 0.32
KLKB1 P03952 1/20 0.32
NR4A2 P43354 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RPS6KA2 Q15349 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL5858305 1.00 GPR55 (0.35) GPR55LIMK1NPC1HTTRAB9A
SCHEMBL5858545 0.96 PLK1 (0.36) GPR55LIMK1NPC1HTTRAB9A
SCHEMBL3932538 0.96 PLK1 (0.36) GPR55LIMK1NPC1HTTRAB9A
SCHEMBL3934811 0.95 NPC1 (0.39) LIMK1NPC1HTTRAB9AMEN1
SCHEMBL5858293 0.95 NPC1 (0.39) LIMK1NPC1HTTRAB9AMEN1
SCHEMBL3944370 0.91 HTT (0.38) NPC1HTTRAB9APLK1F11
SCHEMBL5859511 0.91 HTT (0.38) NPC1HTTRAB9APLK1F11
SCHEMBL5857611 0.89 SLC6A7 (0.37) GPR55NPC1HTTRAB9AMEN1
SCHEMBL3938321 0.89 SLC6A7 (0.37) GPR55NPC1HTTRAB9AMEN1
SCHEMBL5857088 0.88 PLK1 (0.35) GPR55NPC1HTTRAB9AMEN1

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 GPR55 970/4885LIMK1 373/4885NPC1 4723/4885

“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.