SCHEMBL3940392

SCHEMBL3940392

CCNCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OC=CO3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CES1 P23141 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PLK1 P53350 2/20 0.31
PTGER1 P34995 3/20 0.31
ALDH1A1 P00352 1/20 0.31
KDR P35968 2/20 0.31
FLT4 P35916 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
SCHEMBL5858202 1.00 TP53 (0.34) TP53POLBSMN1; SMN2PSEN1PSEN2
SCHEMBL5858365 0.90 BACE1 (0.36) TP53SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL3940679 0.90 BACE1 (0.36) TP53SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL3933145 0.89 LMNA (0.39) TP53POLBSMN1; SMN2PSEN1PSEN2
SCHEMBL3945060 0.89 KMT2A (0.44) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3933138 0.89 LMNA (0.39) TP53POLBSMN1; SMN2PSEN1PSEN2
SCHEMBL5857033 0.89 KMT2A (0.44) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5857128 0.87 MAPK1 (0.38) POLBSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL3937669 0.87 MAPK1 (0.38) POLBSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL3935543 0.87 LSS (0.39) POLBSMN1; SMN2PSEN1PSEN2APH1B

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 TP53 398/4885POLB 1516/4885SMN1; SMN2 4299/4885

“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.