SCHEMBL3935543

SCHEMBL3935543

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OC=CO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.39
F10 P00742 3/20 0.36
KLKB1 P03952 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
S1PR4 O95977 1/20 0.34
CES1 P23141 1/20 0.33
MAPT P10636 3/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ROCK2 O75116 3/20 0.32
PLK1 P53350 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL5859736 1.00 LSS (0.39) LSSF10KLKB1PSEN1PSEN2
SCHEMBL5857128 0.91 MAPK1 (0.38) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL3937669 0.91 MAPK1 (0.38) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL3939851 0.90 BACE1 (0.37) LSSMAPTROCK2SMN1; SMN2KDR
SCHEMBL5858220 0.90 BACE1 (0.37) LSSMAPTROCK2SMN1; SMN2KDR
SCHEMBL3937064 0.89 KMT2A (0.36) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL3937069 0.89 KMT2A (0.36) LSSPSEN1PSEN2APH1BNCSTN
SCHEMBL3934502 0.89 MAOB (0.44) LSSMAPTKDM4ESMN1; SMN2
SCHEMBL3933113 0.89 RAB9A (0.44) LSSSMN1; SMN2
SCHEMBL3933105 0.89 RAB9A (0.44) LSSSMN1; SMN2

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 5 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
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP 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
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO 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 2636/4885F10 2482/4885KLKB1 3702/4885

“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.