SCHEMBL3942977

SCHEMBL3942977

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccc2cnncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 1/20 0.36
MAPT P10636 3/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
MAPK1 P28482 1/20 0.33
CSF1R P07333 3/20 0.33
HPGD P15428 1/20 0.32
THRB P10828 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
SCHEMBL3942973 1.00 POLB (0.40) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3932234 0.88 POLB (0.40) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3932238 0.88 POLB (0.40) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL30737901 0.88 POLB (0.41) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2566882 0.88 POLB (0.41) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2566884 0.88 POLB (0.41) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5313218 0.88 POLB (0.41) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3933468 0.88 KMT2A (0.35) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL3933472 0.88 KMT2A (0.35) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL3935848 0.87 POLB (0.38) POLBSMN1; SMN2NPC1RAB9AKMT2A

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 POLB 1516/4885SMN1; SMN2 4299/4885NPC1 4723/4885

“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.