SCHEMBL20177142

SCHEMBL20177142

COc1cc(Oc2cnc(N)nc2NCC(O)CO)c(C(C)C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.61
P2RX2 Q9UBL9 17/20 0.61
DHFR P00374 1/20 0.48

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
SCHEMBL19364051 0.88 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL19364129 0.86 P2RX3 (0.63) P2RX3P2RX2DHFR
SCHEMBL30119570 0.85 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL22439595 0.85 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL19364130 0.83 P2RX3 (0.85) P2RX3P2RX2
SCHEMBL22439219 0.83 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL29839515 0.83 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL1493818 0.82 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL19364056 0.82 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL19364161 0.81 P2RX3 (0.72) P2RX3P2RX2

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-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 US disclosed
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 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-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 P2RX3 1/4885P2RX2 3/4885DHFR 1126/4885

“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.