SCHEMBL2179474

SCHEMBL2179474

COc1ccc(CCNc2nccc(-c3cc(N4CCOCC4)c4cc(OC)ccc4c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.50
OGA O60502 1/20 0.48
MKNK1 Q9BUB5 5/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
MKNK2 Q9HBH9 1/20 0.46
MTOR P42345 1/20 0.46
SMG1 Q96Q15 1/20 0.46
DYRK1A Q13627 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
CLK1 P49759 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
CLK2 P49760 2/20 0.46
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
LRRK2 Q5S007 1/20 0.42
JAK2 O60674 2/20 0.40

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
SCHEMBL2177110 0.95 MKNK1 (0.47) PTGDROGAMKNK1CCNT1CDK9
SCHEMBL2179737 0.93 MEN1 (0.56) PTGDROGAMKNK1CCNT1CDK9
SCHEMBL2179063 0.92 DYRK1A (0.53) PTGDRMKNK1CCNT1CDK9MTOR
SCHEMBL12489529 0.90 MEN1 (0.47) PTGDROGAMKNK1CCNT1CDK9
SCHEMBL2178720 0.90 PIK3CA (0.50) PTGDROGAMKNK1CCNT1CDK9
SCHEMBL2180327 0.90 CCNT1 (0.49) MKNK1CCNT1CDK9CCNA2CDK2
SCHEMBL2176822 0.89 MKNK1 (0.49) MKNK1CCNT1CDK9MKNK2MTOR
SCHEMBL2179342 0.88 PIK3CA (0.49) OGAMKNK1CCNT1CDK9CCNA2
SCHEMBL2179517 0.88 MKNK1 (0.51) MKNK1CCNT1CDK9MTORSMG1
SCHEMBL2181087 0.88 MTOR (0.47) OGAMKNK1CCNT1CDK9CCNA2

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 PTGDR 1140/4885OGA 3536/4885MKNK1 2469/4885

“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.