SCHEMBL16010754

SCHEMBL16010754

Cc1nc(S(C)(=O)=O)ncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
LRRK2 Q5S007 6/20 0.35
CCNT1 O60563 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MBOAT4 Q96T53 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
SCHEMBL3554942 0.82 CSNK1A1 (0.40) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL1817312 0.82 CSNK1A1 (0.51) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL25234983 0.80 KDM4E (0.40) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL21780778 0.76 NPC1 (0.37) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL15434635 0.74 CSNK1A1 (0.39) MAPK1NPC1ALDH1A1HTTNPSR1
SCHEMBL2350715 0.74 MAPT (0.42) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL5257326 0.73 SYK (0.46) ALDH1A1CCNT1CCNA2CDK2CDK9
SCHEMBL16835367 0.72 KDM4E (0.43) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL2981824 0.72 CDK1 (0.47) TP53MAPK1NPC1ALDH1A1MAPT
SCHEMBL13734423 0.72 MAPK1 (0.33) TP53MAPK1NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660011-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica NV (BE) 2020-06-03 EP disclosed
US-9663497-B2 Benzoimidazol-2-yl pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2017-05-30 US disclosed
US-20160340337-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR NOVASSAY S.A. (CH) 2016-11-24 US disclosed
US-9434715-B2 Benzoimidazol-2-yl pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
US-20160159775-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2016-06-09 US disclosed
US-9278952-B2 Benzoimidazol-2-yl pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2016-03-08 US disclosed
CN-105025898-A Benzoimidazol-2-yl pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2015-11-04 CN disclosed
US-20140364607-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 US disclosed
US-8859575-B2 Benzoimidazol-2-yl pyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-20140256942-A1 Benzoimidazol-2-yl pyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV (US) 2014-09-11 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 (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-20160340337-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 TP53 3134/4885MAPK1 3089/4885NPC1 2570/4885
US-20140364607-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 TP53 3134/4885MAPK1 3089/4885NPC1 2570/4885
US-20140256942-A1 Benzoimidazol-2-yl pyrimidine modulators of the histamine h4 receptor HRH4, HRH3, HRH2 TP53 3134/4885MAPK1 3089/4885NPC1 2570/4885
US-20160159775-A1 BENZOIMIDAZOL-2-YL PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 TP53 3134/4885MAPK1 3089/4885NPC1 2570/4885

“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.