SCHEMBL13719901

SCHEMBL13719901

CNc1nc(C)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
SUV39H2 Q9H5I1 8/20 0.41
SMPD3 Q9NY59 1/20 0.41
CTSK P43235 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PDE10A Q9Y233 2/20 0.40
SYK P43405 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
SCHEMBL12518926 0.95 BTK (0.45) PIM1PIM3PIM2PDE10ASYK
SCHEMBL13719965 0.88 JAK3 (0.45) PIM1PIM3PIM2SUV39H2SMPD3
SCHEMBL12518936 0.85 BTK (0.49) SUV39H2PDE10ASYK
SCHEMBL12518933 0.85 BTK (0.47) PDE10ASYK
SCHEMBL12518795 0.85 MAP4K4 (0.44) PIM1PIM3PIM2SUV39H2SMPD3
SCHEMBL12518773 0.84 PIM1 (0.45) PIM1PIM3PIM2SUV39H2CTSK
SCHEMBL12518808 0.84 BTK (0.44) PIM1PIM3PIM2PDE10ASYK
SCHEMBL27834273 0.84 BTK (0.44) PIM1PIM3PIM2PDE10ASYK
SCHEMBL12518934 0.83 BTK (0.44) PIM1PIM3PIM2PDE10ASYK
SCHEMBL13719939 0.83 BTK (0.46) SUV39H2PDE10ASYK

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 PIM1 853/4885PIM3 957/4885PIM2 1234/4885

“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.