SCHEMBL13853277

SCHEMBL13853277

CCOC(=O)c1ccc2c(CN)ncnc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ DPP4 P27487 12/20 0.43
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL13853259 0.81 CYP1A2 (0.50) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL13853264 0.81 CYP1A2 (0.47) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL5262828 0.80 CYP1A2 (0.49) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL13853269 0.80 CYP1A2 (0.46) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL13853263 0.79 CYP1A2 (0.48) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL13853266 0.78 CYP1A2 (0.47) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL13686511 0.73 CYP1A2 (0.50) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL13853261 0.72 CYP1A2 (0.49) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL14237207 0.68 KDM4E (0.59) CYP1A2MAPTALDH1A1KMT2AMEN1
SCHEMBL14935831 0.67 CYP1A2 (0.72) CYP1A2MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 — — US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 — — 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK CYP1A2 8/4885DPP4 706/4885MAPT 1170/4885

“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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