SCHEMBL12736699

SCHEMBL12736699

Cc1nc(NC(C)C)c2scnc2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
CD38 P28907 1/20 0.30
DPP4 P27487 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL801587 0.85 CXCR2 (0.36) CXCR2
SCHEMBL12619559 0.82 ALDH1A1 (0.40) CXCR2MEN1KMT2A
SCHEMBL14164055 0.81 CXCR2 (0.33) CXCR2HTT
SCHEMBL20611718 0.72 CXCR2 (0.36) CXCR2MEN1LMNAKMT2A
SCHEMBL12510645 0.70 PDE4B (0.46) CXCR2MEN1LMNAHTTKMT2A
SCHEMBL23889465 0.69 CXCR2 (0.34) CXCR2
SCHEMBL18711828 0.69 CXCR2 (0.34) CXCR2
SCHEMBL10266757 0.69 LMNA (0.39) CXCR2MEN1LMNAHTTKMT2A
SCHEMBL24175625 0.67 USP2 (0.39) CXCR2USP2
SCHEMBL24174414 0.67 CXCR2 (0.33) CXCR2

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
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-14 US disclosed
US-7863282-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-20070179133-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A CXCR2 2405/4885MEN1 2949/4885LMNA 4218/4885
US-20070179133-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 CXCR2 1558/4885MEN1 1855/4885LMNA 1929/4885
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, PACSIN2, MAP3K6 CXCR2 1558/4885MEN1 1855/4885LMNA 1929/4885

“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.