SCHEMBL3942422

SCHEMBL3942422

CN1CCN(C(=O)Cc2ccc(NC(=C3C(=O)Nc4cc(C#N)ccc43)c3ccc4c(c3)OCCO4)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
VNN1 O95497 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
MLNR O43193 2/20 0.35
TYK2 P29597 1/20 0.35
POLB P06746 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
SCHEMBL3942420 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3942182 0.96 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3942179 0.96 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3934198 0.89 NPC1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3934196 0.89 NPC1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5858329 0.89 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3935502 0.89 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4484861 0.87 TYK2 (0.40) MAPTNAMPTMLNRTYK2
SCHEMBL4484864 0.87 TYK2 (0.40) MAPTNAMPTMLNRTYK2
SCHEMBL3935168 0.86 MEN1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 SMN1; SMN2 4299/4885NPC1 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.