SCHEMBL13719628

SCHEMBL13719628

CNc1nc(C)cc(N2CCCC(OC(=O)NC(C)(C)C)C2)c1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 3/20 0.36
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
MAP4K4 O95819 2/20 0.33
AURKA O14965 3/20 0.32
PDPK1 O15530 3/20 0.32
AURKB Q96GD4 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
POLB P06746 1/20 0.32
IKBKB O14920 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL13719621 0.94 SMPD3 (0.35) NTMT1KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL13720066 0.90 KDM4E (0.38) NTMT1KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL13719288 0.85 MAPT (0.35) NTMT1KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL13719815 0.83 CDK8 (0.39) NTMT1MAP4K4
SCHEMBL13719902 0.79 SMPD3 (0.34) NTMT1KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL12517259 0.79 MAP4K4 (0.51) HSD17B10GAATSHRMAP4K4AURKA
SCHEMBL13719981 0.78 ALDH1A1 (0.38) NTMT1KDM4EALDH1A1MEN1KMT2A
SCHEMBL13719267 0.78 ALDH1A1 (0.38) NTMT1KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL13719630 0.77 ACACB (0.38)
SCHEMBL13719594 0.77 MEN1 (0.37) NTMT1KDM4EHSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524917-B1 FUSED PYRIDINE DERIVATIVES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD (CN) 2018-06-27 EP disclosed
US-8680089-B2 Fused pyridine derivatives Xuanzhu Pharma Co., Ltd. (CN) 2014-03-25 US disclosed
EP-2524917-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharmaco., Ltd. (CN) 2012-11-21 EP disclosed
US-20120289497-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharma Co., Ltd. (CN) 2012-11-15 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-20120289497-A1 FUSED PYRIDINE DERIVATIVES GPR119, INSR, IAPP NTMT1 3308/4885KDM4E 1675/4885HSD17B10 449/4885

“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.