SCHEMBL3937825

SCHEMBL3937825

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.37
BRD4 O60885 1/20 0.35
F10 P00742 2/20 0.35
KLKB1 P03952 1/20 0.35
MAOB P27338 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PLK1 P53350 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KCNH2 Q12809 1/20 0.33
P2RX3 P56373 2/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
MCHR1 Q99705 1/20 0.32
S1PR4 O95977 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL5859741 1.00 LSS (0.37) LSSBRD4F10KLKB1MAOB
SCHEMBL3932231 0.93 BRD4 (0.40) LSSBRD4F10KLKB1MAOB
SCHEMBL5859332 0.93 BRD4 (0.40) LSSBRD4F10KLKB1MAOB
SCHEMBL3934504 0.91 MAOB (0.44) LSSMAOBMAPK1HTT
SCHEMBL3934502 0.91 MAOB (0.44) LSSMAOBMAPK1HTT
SCHEMBL3944009 0.90 BRD4 (0.35) BRD4MAOBMAPK1PRMT5WDR77
SCHEMBL5857149 0.90 BRD4 (0.35) BRD4MAOBMAPK1PRMT5WDR77
SCHEMBL3937658 0.89 KCNH2 (0.40) BRD4PRMT5WDR77KCNH2ROCK2
SCHEMBL3937653 0.89 KCNH2 (0.40) BRD4PRMT5WDR77KCNH2ROCK2
SCHEMBL3936531 0.88 ROCK2 (0.38) BRD4MAOBPLK1PRMT5WDR77

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 LSS 2636/4885BRD4 885/4885F10 2482/4885

“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.