SCHEMBL2179362

SCHEMBL2179362

COc1ccc2cc(-c3ccnc(NCCN(C)C)n3)cc(N3CCNCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.51
NCF1 P14598 1/20 0.47
SYK P43405 2/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
ZAP70 P43403 2/20 0.40
PRKD3 O94806 1/20 0.40
EGFR P00533 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
LCK P06239 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL2176460 0.96 MKNK1 (0.47) MKNK1NCF1SYKIKBKBCHUK
SCHEMBL2179517 0.90 MKNK1 (0.51) MKNK1SYKZAP70CCNT1CDK9
SCHEMBL2175103 0.89 NCF1 (0.48) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2175724 0.89 NCF1 (0.48) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2180327 0.88 CCNT1 (0.49) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2177011 0.88 NCF1 (0.47) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2179096 0.87 MKNK1 (0.47) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2182169 0.86 DYRK1A (0.53) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2179786 0.86 NCF1 (0.44) MKNK1NCF1IKBKBCHUKZAP70
SCHEMBL2177109 0.85 MKNK1 (0.48) MKNK1NCF1CCNT1CCNA2CDK2

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
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
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 MKNK1 2469/4885NCF1 272/4885SYK 3080/4885

“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.