SCHEMBL3756282

SCHEMBL3756282

CS(=O)(=O)c1cccc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
KCNH2 Q12809 2/20 0.46
SYK P43405 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ATR Q13535 3/20 0.43
LRRK2 Q5S007 1/20 0.43
KMO O15229 1/20 0.43
GRM2 Q14416 1/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42
ROCK1 Q13464 1/20 0.42
KIT P10721 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL27807848 0.85 KCNH2 (0.48) NR1H2NR1H3KCNH2SYKLOXL2
SCHEMBL855549 0.84 MEN1 (0.52) NR1H2NR1H3KCNH2LOXL2CTSS
SCHEMBL15478282 0.84 MAPT (0.47) NR1H2NR1H3KCNH2SYKLOXL2
SCHEMBL3754393 0.81 PTGS2 (0.46)
SCHEMBL857685 0.81 CTSS (0.48) NR1H2NR1H3KCNH2LOXL2CTSS
SCHEMBL4001581 0.77 NR1H2 (0.49) NR1H2NR1H3KCNH2SYKLOXL2
SCHEMBL30039418 0.76 KMO (0.59) KMO
SCHEMBL2350651 0.76 KMO (0.59) KMO
SCHEMBL1466767 0.76 DYRK1A (0.38) NR1H2NR1H3KCNH2KMO
SCHEMBL31119010 0.76 KMO (0.62) KMO

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-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 NR1H2 3954/4885NR1H3 3941/4885KCNH2 3797/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 NR1H2 3954/4885NR1H3 3941/4885KCNH2 3797/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 NR1H2 3954/4885NR1H3 3941/4885KCNH2 3797/4885

“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.