SCHEMBL2178422

SCHEMBL2178422

COc1ccc2cc(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)cc(N3CCNCC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
MAPK9 P45984 1/20 0.53
MITF O75030 1/20 0.46
HTR6 P50406 2/20 0.45
GALR2 O43603 1/20 0.44
DYRK1A Q13627 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CLK1 P49759 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
MKNK1 Q9BUB5 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
NCF1 P14598 1/20 0.42
CLK2 P49760 1/20 0.41
SCD O00767 1/20 0.41
KARS1 Q15046 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
SCHEMBL10272914 0.91 DYRK1A (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2181493 0.91 MTOR (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL2177661 0.90 DYRK1A (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2182169 0.87 DYRK1A (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2181055 0.85 CLK4 (0.48) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2179548 0.85 DYRK1A (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2177109 0.84 MKNK1 (0.48) HTR6DYRK1ACLK4CLK1DYRK1B
SCHEMBL2178059 0.82 NCF1 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2179390 0.81 NCF1 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2177011 0.81 NCF1 (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US claimed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 US disclosed
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 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 (1 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP MAPK14 3941/4885MAPK13 3283/4885MAPK12 2636/4885

“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.