SCHEMBL3754367

SCHEMBL3754367

CSCc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
CLK1 P49759 2/20 0.40
CLK2 P49760 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KMO O15229 2/20 0.36
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
MAP4K4 O95819 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL12921672 0.80 MEN1 (0.41) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL978578 0.78 MEN1 (0.44) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL12921675 0.78 ADRB2 (0.47) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL3400986 0.77 XDH (0.43) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL15577810 0.77 DYRK1A (0.46) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL3752838 0.76 JAK2 (0.40) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL444442 0.75 KMT2A (0.56) MAPTMEN1KMT2AKMOGAA
SCHEMBL441888 0.75 MAPT (0.59) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL446173 0.73 MEN1 (0.58) MAPTMEN1KMT2AKMOGAA
SCHEMBL8083869 0.73 DYRK1A (0.45) DYRK1ACLK4CLK1CLK2DYRK1B

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 DYRK1A 580/4885CLK4 547/4885CLK1 452/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 DYRK1A 580/4885CLK4 547/4885CLK1 452/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 DYRK1A 580/4885CLK4 547/4885CLK1 452/4885

“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.