SCHEMBL4490897

SCHEMBL4490897

CN(C)CCN(C)C(=O)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MCHR1 Q99705 1/20 0.38
ATR Q13535 2/20 0.38
HRH4 Q9H3N8 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CXCR3 P49682 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
NAMPT P43490 1/20 0.35
LRRK2 Q5S007 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4490893 1.00 TDP1 (0.38) TDP1MCHR1ATRHRH4ADORA2A
SCHEMBL4493786 0.95 KDM4E (0.38) TDP1MCHR1CXCR3RXFP1BACE1
SCHEMBL4493789 0.95 KDM4E (0.38) TDP1MCHR1CXCR3RXFP1BACE1
SCHEMBL4496932 0.92 ATR (0.40) ATRHRH4ADORA2AADORA1RXFP1
SCHEMBL4496928 0.92 ATR (0.40) ATRHRH4ADORA2AADORA1RXFP1
SCHEMBL4499358 0.91 TP53 (0.38) RXFP1NAMPTALDH1A1
SCHEMBL4499361 0.91 TP53 (0.38) RXFP1NAMPTALDH1A1
SCHEMBL3851272 0.91 MCHR1 (0.39) MCHR1ATRADORA2AADORA1PIK3CA
SCHEMBL4491350 0.89 LIMK1 (0.37) MCHR1RXFP1LRRK2UTS2RKDM4E
SCHEMBL4491348 0.89 LIMK1 (0.37) MCHR1RXFP1LRRK2UTS2RKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR TDP1 1620/4885MCHR1 666/4885ATR 526/4885

“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.