SCHEMBL2179735

SCHEMBL2179735

COc1ccc2cc(-c3ccnc(NCCc4ccccn4)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MKNK1 Q9BUB5 4/20 0.37
MKNK2 Q9HBH9 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2177434 0.93 VNN1 (0.42) RAB9AMKNK1KDM4EGAACYP3A4
SCHEMBL2178583 0.89 CCNT1 (0.45) ACP1CCNT1CCNA2CDK2CDK9
SCHEMBL2178358 0.88 CASR (0.42) MKNK1MKNK2MTNR1AMTNR1BCYP3A4
SCHEMBL2176860 0.87 HDAC3 (0.38) MKNK1MKNK2KDM4EGAAALDH1A1
SCHEMBL2178733 0.86 MKNK1 (0.48) MKNK1CYP2D6DYRK1ACLK4DYRK1B
SCHEMBL2180425 0.86 HDAC3 (0.44) ACP1CCNT1CCNA2CDK2CDK9
SCHEMBL2177853 0.85 CCNT1 (0.46) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL2179518 0.85 CASR (0.39) MKNK1MKNK2MTNR1AMTNR1BDYRK1A
SCHEMBL2179774 0.84 CLK4 (0.50) MKNK1KDM4ERAF1MAPTDYRK1A
SCHEMBL2178911 0.84 CASR (0.39) ACP1MKNK1MTNR1AMTNR1BKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACP1 2609/4885NPC1 83/4885RAB9A 2883/4885

“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.