SCHEMBL3939762

SCHEMBL3939762

CCNCc1ccc(NC(=C2C(=O)Nc3cc(C#N)ccc32)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.42
ALDH1A1 P00352 6/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 6/20 0.37
USP2 O75604 2/20 0.37
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAOB P27338 3/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL3939757 1.00 VNN1 (0.42) VNN1ALDH1A1PKMMAPTUSP2
SCHEMBL3932448 0.95 KMT2A (0.38) VNN1ALDH1A1MAPTUSP2NPC1
SCHEMBL3932454 0.95 KMT2A (0.38) VNN1ALDH1A1MAPTUSP2NPC1
SCHEMBL3935233 0.88 VNN1 (0.38) VNN1ALDH1A1PKMMAPTUSP2
SCHEMBL3935240 0.88 VNN1 (0.38) VNN1ALDH1A1PKMMAPTUSP2
SCHEMBL3940299 0.88 ALDH1A1 (0.40) VNN1ALDH1A1PKMMAPTUSP2
SCHEMBL3940304 0.88 ALDH1A1 (0.40) VNN1ALDH1A1PKMMAPTUSP2
SCHEMBL3933238 0.88 MAOB (0.43) ALDH1A1MAPTUSP2NPC1RAB9A
SCHEMBL3933227 0.88 MAOB (0.43) ALDH1A1MAPTUSP2NPC1RAB9A
SCHEMBL3944362 0.87 MAPT (0.42) ALDH1A1MAPTUSP2NPC1RAB9A

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 VNN1 4538/4885ALDH1A1 2387/4885PKM 303/4885

“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.