SCHEMBL3940304

SCHEMBL3940304

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(C#N)ccc32)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PKM P14618 1/20 0.40
ROCK2 O75116 1/20 0.39
VNN1 O95497 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 5/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
MAOB P27338 3/20 0.36
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 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
SCHEMBL3940299 1.00 ALDH1A1 (0.40) ALDH1A1PKMROCK2VNN1NPC1
SCHEMBL3936189 0.95 ROCK2 (0.39) ALDH1A1PKMROCK2NPC1RAB9A
SCHEMBL3936185 0.95 ROCK2 (0.39) ALDH1A1PKMROCK2NPC1RAB9A
SCHEMBL3935233 0.92 VNN1 (0.38) ALDH1A1PKMROCK2VNN1NPC1
SCHEMBL3935240 0.92 VNN1 (0.38) ALDH1A1PKMROCK2VNN1NPC1
SCHEMBL3932879 0.91 BRD4 (0.39) ALDH1A1PKMROCK2NPC1RAB9A
SCHEMBL3936537 0.91 ROCK2 (0.38) ALDH1A1PKMROCK2MAOBPOLB
SCHEMBL3936531 0.91 ROCK2 (0.38) ALDH1A1PKMROCK2MAOBPOLB
SCHEMBL3932871 0.91 BRD4 (0.39) ALDH1A1PKMROCK2NPC1RAB9A
SCHEMBL3939762 0.88 VNN1 (0.42) ALDH1A1PKMVNN1NPC1RAB9A

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 ALDH1A1 2387/4885PKM 303/4885ROCK2 1483/4885

“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.