SCHEMBL25683544

SCHEMBL25683544

CNc1ccc2[nH]ncc2c1P

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ NOS1 P29475 4/20 0.38
▸ AXL P30530 2/20 0.38
▸ PDPK1 O15530 1/20 0.36
▸ METAP2 P50579 2/20 0.35
▸ DHPS P49366 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL24094357 0.80 JAK2 (0.41) JAK2JAK1IDO1NOS1AXL
SCHEMBL8306066 0.74 JAK2 (0.68) JAK2JAK1IDO1NOS1AXL
SCHEMBL12321248 0.71 NOS1 (0.56) JAK2JAK1IDO1NOS1AXL
SCHEMBL18411114 0.69 IDO1 (0.41) JAK2JAK1IDO1NOS1AXL
SCHEMBL24785025 0.68 NOS1 (0.50) JAK2JAK1IDO1NOS1AXL
SCHEMBL27100858 0.63 JAK2 (0.40) JAK2JAK1IDO1PDPK1DHPS
SCHEMBL8404436 0.63 IDO1 (0.46) JAK2JAK1IDO1NOS1AXL
SCHEMBL18878953 0.63 PDPK1 (0.50) JAK2PDPK1ROCK1LMNARAB9A
SCHEMBL17250845 0.62 RAF1 (0.39) JAK2JAK1IDO1PDPK1METAP2
SCHEMBL19249263 0.61 TDO2 (0.56) IDO1METAP2CYP1A2TDO2

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A JAK2 3847/4885JAK1 4316/4885IDO1 3035/4885

“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.

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