SCHEMBL2801014

SCHEMBL2801014

NC(=O)c1nccc(S)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
ROCK1 Q13464 2/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
P2RX7 Q99572 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAP4K4 O95819 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAP2K3 P46734 2/20 0.33
KMO O15229 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL20929040 0.81 KMO (0.49) KMO
SCHEMBL163293 0.77 MKNK1 (0.38) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL163294 0.77 KDM4E (0.37) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL3906535 0.77 ADORA3 (0.42) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL30521607 0.77 ADORA3 (0.42) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL669901 0.77 MKNK1 (0.42) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL2465653 0.75 KMT2A (0.50) PARP1MAP4K4L3MBTL1KMT2ASIRT3
SCHEMBL1206986 0.75 MAP4K4 (0.40) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL10718871 0.75 CSNK2A1 (0.36) PARP1ROCK1KDM4BKDM5CKDM5B
SCHEMBL12077485 0.71 KDM5C (0.47) PARP1ROCK1KDM4BKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 EP disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 EP disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
EP-2942346-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2015-11-11 EP disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 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 (2 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-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 PARP1 1420/4885ROCK1 3967/4885KDM4B 3779/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 PARP1 1243/4885ROCK1 3427/4885KDM4B 3337/4885

“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.