SCHEMBL2608923

SCHEMBL2608923

CC(C)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
SPR P35270 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL5525994 0.88 HTT (0.38) RECQLSPRKMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL8652194 0.87 HTT (0.38) RECQLSPRKMT2AALDH1A1HTT
SCHEMBL30399454 0.87 GAA (0.45) RECQLSPRCYP2C19CYP2C9KMT2A
SCHEMBL7772829 0.85 HTT (0.37) RECQLSPRCYP2C19KMT2ACYP2D6
SCHEMBL16458256 0.85 HTT (0.37) RECQLSPRKMT2AALDH1A1HTT
SCHEMBL7619941 0.83 LARS1 (0.39) HTTATM
SCHEMBL7619939 0.83 LARS1 (0.39) HTTATM
SCHEMBL12329054 0.82 HTT (0.37) CYP2C19CYP2C9KMT2ATSHRHSD17B10
SCHEMBL29325290 0.82 HTT (0.35) RECQLSPRKMT2ATSHRKDM4E
SCHEMBL18381370 0.82 HTT (0.37) RECQLKMT2ACYP2D6TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
CN-1056608-C Imidazole group-containing pseudodipeptide products and uses thereof EXSYMOL SA MONEGASQUE (MC) 2000-09-20 CN disclosed
CN-1136808-A Imidazole group-containing pseudodipeptide products and uses thereof EXSYMOL SA (MC) 1996-11-27 CN 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 (4 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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A RECQL 2757/4885SPR 413/4885CYP2C19 537/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 RECQL 2612/4885SPR 3076/4885CYP2C19 3141/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E RECQL 138/4885SPR 588/4885CYP2C19 881/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN RECQL 899/4885SPR 784/4885CYP2C19 964/4885

“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.