SCHEMBL13719979

SCHEMBL13719979

CNc1nc2ccccc2c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.53
PDE10A Q9Y233 2/20 0.50
BTK Q06187 5/20 0.47
AURKA O14965 3/20 0.47
PDPK1 O15530 3/20 0.47
AURKB Q96GD4 3/20 0.47
JAK3 P52333 3/20 0.45
DPP4 P27487 4/20 0.44
LCK P06239 2/20 0.43
EGFR P00533 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL12517267 0.87 PDE10A (0.48) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL15886802 0.83 MAP4K4 (0.55) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL29360823 0.83 MAP4K4 (0.55) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL12517259 0.78 MAP4K4 (0.51) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL13719620 0.78 BTK (0.52) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL12517271 0.78 DPP4 (0.48) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL12517476 0.77 MAP4K4 (0.54) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL29359140 0.76 PDE10A (0.49) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL15886837 0.76 PDE10A (0.49) MAP4K4PDE10ABTKAURKAPDPK1
SCHEMBL12074150 0.76 CNR1 (0.55) MAP4K4PDE10ABTKJAK3CKS1B

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 MAP4K4 1184/4885PDE10A 1367/4885BTK 1042/4885

“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.