SCHEMBL13719620

SCHEMBL13719620

CNc1nc(Cl)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.52
JAK3 P52333 3/20 0.52
MAP4K4 O95819 2/20 0.51
AURKA O14965 3/20 0.49
PDPK1 O15530 3/20 0.49
AURKB Q96GD4 3/20 0.49
LCK P06239 2/20 0.44
EGFR P00533 1/20 0.44
F10 P00742 1/20 0.44
PDE10A Q9Y233 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SYK P43405 1/20 0.42
SUV39H2 Q9H5I1 5/20 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
SCHEMBL12517259 0.90 MAP4K4 (0.51) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL12518940 0.88 MAP4K4 (0.49) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL13719760 0.88 BTK (0.50) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL13719759 0.88 BTK (0.50) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL13820019 0.88 MAP4K4 (0.49) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL27814286 0.87 MAP4K4 (0.49) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL12518936 0.85 BTK (0.49) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL12518795 0.84 MAP4K4 (0.44) BTKMAP4K4AURKAPDPK1AURKB
SCHEMBL13820031 0.84 MAP4K4 (0.46) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL12517476 0.83 MAP4K4 (0.54) BTKJAK3MAP4K4AURKAPDPK1

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 7 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
US-8680089-B2 Fused pyridine derivatives Xuanzhu Pharma Co., Ltd. (CN) 2014-03-25 US 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
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 BTK 1042/4885JAK3 566/4885MAP4K4 1184/4885

“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.