SCHEMBL3933828

SCHEMBL3933828

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F11 P03951 1/20 0.34
PLK1 P53350 2/20 0.33
TGM2 P21980 1/20 0.33
NR4A2 P43354 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.31
P2RX3 P56373 1/20 0.31
BACE1 P56817 1/20 0.30
NFKBIA P25963 1/20 0.30
RELA Q04206 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL3933103 0.95 NPC1 (0.40) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL5859779 0.91 RAB9A (0.36) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL3933830 0.87 GPR55 (0.36) GPR55NPC1RAB9AHTTMEN1
SCHEMBL5859706 0.87 GPR55 (0.36) GPR55NPC1RAB9AHTTMEN1
SCHEMBL227304 0.86 KDR (0.36) NPC1RAB9APLK1POLBBACE1
SCHEMBL3933136 0.86 PLK1 (0.35) GPR55NPC1RAB9AHTTMEN1
SCHEMBL5857088 0.86 PLK1 (0.35) GPR55NPC1RAB9AHTTMEN1
SCHEMBL5856822 0.85 BACE1 (0.36) NPC1PLK1TGM2POLBBACE1
SCHEMBL4500469 0.85 LRRK2 (0.35) NPC1RAB9AMEN1KMT2ATGM2
SCHEMBL3938265 0.84 NPC1 (0.43) NPC1RAB9AHTTMEN1KMT2A

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 3 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
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

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 970/4885NPC1 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.