SCHEMBL2179384

SCHEMBL2179384

COc1ccc2cc(-c3ccnc(NCCc4cccnc4)n3)cc(N3CCNCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 2/20 0.46
OGA O60502 1/20 0.46
CDK2 P24941 4/20 0.46
CCNT1 O60563 2/20 0.46
CCNA2 P20248 2/20 0.46
CDK9 P50750 2/20 0.46
NCF1 P14598 1/20 0.43
PTGDR Q13258 1/20 0.42
PIK3CA P42336 1/20 0.41
ACVR1 Q04771 4/20 0.41
ACP1 P24666 1/20 0.41
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PRKD3 O94806 1/20 0.40
EGFR P00533 1/20 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
SCHEMBL2181055 0.93 CLK4 (0.48) MKNK1OGACDK2NCF1ACVR1
SCHEMBL2177109 0.91 MKNK1 (0.48) MKNK1MKNK2CDK2CCNT1CCNA2
SCHEMBL2178720 0.91 PIK3CA (0.50) MKNK1MKNK2OGACDK2CCNT1
SCHEMBL2180327 0.90 CCNT1 (0.49) MKNK1MKNK2CDK2CCNT1CCNA2
SCHEMBL2177011 0.90 NCF1 (0.47) MKNK1MKNK2CDK2CCNT1CCNA2
SCHEMBL2176973 0.86 CCNT1 (0.50) MKNK1MKNK2CDK2CCNT1CCNA2
SCHEMBL2179122 0.85 OGA (0.44) MKNK1MKNK2OGACDK2CCNT1
SCHEMBL10272914 0.85 DYRK1A (0.50) MKNK1NCF1PIK3CACLK1DYRK1A
SCHEMBL2175103 0.85 NCF1 (0.48) MKNK1CDK2CCNT1CCNA2CDK9
SCHEMBL2180794 0.85 HTR6 (0.47) MKNK1MKNK2CDK2CCNT1CCNA2

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 MKNK1 2469/4885MKNK2 2712/4885OGA 3536/4885

“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.