SCHEMBL2176822

SCHEMBL2176822

COCCNc1nccc(-c2cc(N3CCOCC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.49
MTOR P42345 1/20 0.47
SMG1 Q96Q15 1/20 0.47
LRRK2 Q5S007 1/20 0.43
JAK2 O60674 3/20 0.41
JAK3 P52333 1/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
PRKDC P78527 1/20 0.41
ZAP70 P43403 1/20 0.41
SYK P43405 3/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NMT1 P30419 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL2179474 0.89 PTGDR (0.50) MKNK1MTORSMG1LRRK2JAK2
SCHEMBL2177110 0.89 MKNK1 (0.47) MKNK1MTORSMG1LRRK2JAK2
SCHEMBL2179517 0.89 MKNK1 (0.51) MKNK1MTORSMG1LRRK2JAK2
SCHEMBL2175103 0.89 NCF1 (0.48) MKNK1CCNT1CDK9ZAP70CLK1
SCHEMBL2179665 0.89 MKNK1 (0.57) MKNK1MTORSMG1LRRK2SYK
SCHEMBL2179063 0.88 DYRK1A (0.53) MKNK1MTORSMG1LRRK2JAK2
SCHEMBL2179083 0.87 MTOR (0.52) MKNK1MTORSMG1LRRK2JAK2
SCHEMBL2179342 0.86 PIK3CA (0.49) MKNK1MTORSMG1LRRK2CCNT1
SCHEMBL2178166 0.86 DYRK1A (0.52) MKNK1MTORSMG1LRRK2JAK2
SCHEMBL2181087 0.86 MTOR (0.47) MKNK1MTORSMG1LRRK2JAK2

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 MKNK1 2469/4885MTOR 917/4885SMG1 1349/4885

“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.