SCHEMBL19250015

SCHEMBL19250015

CO[C@H]1[C@@H](F)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COP(=S)(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 11/20 0.41
▸ PRMT6 Q96LA8 1/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ DNPH1 O43598 2/20 0.38
▸ P2RY2 P41231 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ P2RY6 Q15077 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
SCHEMBL18927171 0.94 P2RY12 (0.39) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL18917301 0.94 P2RY12 (0.39) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL18937379 0.94 P2RY12 (0.42) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL31430106 0.93 P2RY12 (0.43) P2RY12PRMT6ADORA1DNPH1
SCHEMBL23624675 0.90 P2RY12 (0.47) P2RY12ADORA1DNPH1P2RY2P2RY1
SCHEMBL31430083 0.90 P2RY12 (0.39) P2RY12PRMT6DNPH1P2RY2P2RY1
SCHEMBL24322108 0.88 P2RY12 (0.38) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL19762770 0.88 P2RY12 (0.41) P2RY12PRMT6ADORA1DNPH1P2RY2
SCHEMBL19250016 0.88 P2RY12 (0.44) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL22879142 0.88 P2RY12 (0.36) P2RY12PRMT6ADORA1DNPH1P2RY2

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-20170233430-A1 Novel Compounds GLAXOSMITHKLINE LLC 2017-08-17 — — 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-20170233430-A1 Novel Compounds STING1, IRF3, IFNAR1 P2RY12 86/4885PRMT6 2225/4885ADORA1 209/4885

“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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