SCHEMBL2176497

SCHEMBL2176497

COc1ccc2cc(-c3ccnc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc(N3CCNCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.45
MKNK1 Q9BUB5 4/20 0.44
EIF2AK2 P19525 1/20 0.42
MKNK2 Q9HBH9 2/20 0.41
IKBKB O14920 5/20 0.39
CHUK O15111 1/20 0.39
ZAP70 P43403 2/20 0.38
PRKD3 O94806 1/20 0.38
EGFR P00533 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
LCK P06239 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38

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
SCHEMBL2181328 0.90 MKNK1 (0.44) MKNK1EIF2AK2MKNK2IKBKBZAP70
SCHEMBL2179804 0.87 IKBKB (0.50) NCF1MKNK1EIF2AK2MKNK2IKBKB
SCHEMBL2176027 0.83 NCF1 (0.54) NCF1MKNK1IKBKBCHUKZAP70
Hydrochloric Acid SCHEMBL2177589 0.82 NCF1 (0.53) NCF1MKNK1IKBKBCHUKZAP70
SCHEMBL2178908 0.81 EIF2AK2 (0.45) NCF1MKNK1EIF2AK2MKNK2IKBKB
SCHEMBL2179908 0.80 ACHE (0.54) MKNK1EIF2AK2MKNK2
SCHEMBL2678012 0.80 EIF2AK2 (0.42) MKNK1EIF2AK2MKNK2CCNA2CDK2
SCHEMBL2182169 0.79 DYRK1A (0.53) NCF1MKNK1IKBKBCHUKZAP70
SCHEMBL6128576 0.79 EIF2AK2 (0.37) MKNK1EIF2AK2MKNK2CCNA2CDK2
SCHEMBL2175103 0.78 NCF1 (0.48) NCF1MKNK1EIF2AK2IKBKBCHUK

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
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 WO disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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 (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 NCF1 272/4885MKNK1 2469/4885EIF2AK2 1269/4885

“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.