SCHEMBL2177434

SCHEMBL2177434

COc1ccc2cc(-c3ccnc(NCc4ccccn4)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.42
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
DYRK1A Q13627 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
DYRK1B Q9Y463 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MEN1 O00255 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 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
SCHEMBL2179735 0.93 ACP1 (0.44) HPGDKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL2179774 0.88 CLK4 (0.50) KDM4EKMT2ADYRK1ACLK4DYRK1B
SCHEMBL2178911 0.88 CASR (0.39) HPGDKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL2178948 0.88 DYRK1A (0.48) DYRK1ACLK4DYRK1BMKNK1MAPK13
SCHEMBL2176860 0.86 HDAC3 (0.38) KDM4EALDH1A1GAADYRK1ACLK4
SCHEMBL2177386 0.85 HDAC3 (0.49) KDM4EALDH1A1HSD17B10CYP1A2GLA
SCHEMBL2178733 0.85 MKNK1 (0.48) CYP2D6DYRK1ACLK4DYRK1BMKNK1
SCHEMBL2178193 0.85 DYRK1A (0.47) KDM4EALDH1A1GAAKMT2ADYRK1A
SCHEMBL2178583 0.84 CCNT1 (0.45) KDM4EDYRK1ACLK4DYRK1BMKNK1
SCHEMBL2178358 0.84 CASR (0.42) CYP1A2CYP3A4CYP2D6CLK4MKNK1

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 VNN1 1700/4885HPGD 225/4885KDM4E 2457/4885

“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.