SCHEMBL8260822

SCHEMBL8260822

CC(=O)Nc1c(C)noc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
BRD4 O60885 4/20 0.43
BRD2 P25440 2/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
ALOX5AP P20292 2/20 0.38
ALOX15 P16050 2/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MLYCD O95822 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM1A O60341 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL3599701 0.85 BRD4 (0.46) RIPK1BRD4BRD2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1375757 0.83 BRD4 (0.45) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL2191777 0.82 BRD4 (0.42) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL12199026 0.80 BRD4 (0.41) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL15139548 0.79 GFER (0.41) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL12331428 0.79 BRD4 (0.40) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL14254945 0.79 HTT (0.40) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL14266486 0.79 LMNA (0.50) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL10172966 0.76 RIPK1 (0.40) RIPK1BRD4BRD2ALDH1A1L3MBTL1
SCHEMBL17993490 0.76 NPY2R (0.41) RIPK1BRD4BRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
EP-1858888-B1 HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY MERCK SHARP & DOHME (US) 2013-04-17 EP disclosed
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-7879838-B2 Chemokine receptor antagonists used for the treatment of inflammatory diseases, autoimmune diseases, transplant rejection, infectious diseases, drug sensitivity, ophthalmic inflammation, type I diabetes, viral meningitis and tumors SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-7868005-B2 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2011-01-11 US disclosed
US-7776862-B2 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2010-08-17 US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 US disclosed
US-7566718-B2 Amine-linked pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2009-07-28 US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 EP disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
EP-1313725-B1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2007-04-11 EP disclosed
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-03-08 US disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (5 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO RIPK1 1747/4885BRD4 2464/4885BRD2 1894/4885
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH RIPK1 2723/4885BRD4 3482/4885BRD2 4218/4885
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CXCR1, CCR5 RIPK1 378/4885BRD4 1581/4885BRD2 3229/4885
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CCR1, CCR5 RIPK1 539/4885BRD4 1863/4885BRD2 3177/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B RIPK1 1834/4885BRD4 2920/4885BRD2 3935/4885

“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.