SCHEMBL30215873

SCHEMBL30215873

CCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.73
P2RX2 Q9UBL9 3/20 0.73
DHFR P00374 4/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.62
SLC22A1 O15245 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL1494157 1.00 P2RX3 (0.73) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL11555328 0.94 P2RX3 (0.81) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL2150191 0.89 P2RX3 (0.70) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL328871 0.88 P2RX3 (0.72) P2RX3P2RX2DHFRHTTMEN1
Ormetoprim SCHEMBL93810 0.85 P2RX3 (0.69) P2RX3P2RX2DHFRHTTMEN1
Ormetoprim SCHEMBL29389444 0.85 P2RX3 (0.69) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL2150300 0.84 P2RX3 (0.67) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL2149748 0.83 DHFR (0.70) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL11559756 0.82 P2RX3 (0.65) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL30215812 0.82 P2RX3 (1.00) P2RX3P2RX2DHFRHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 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 (3 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-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 P2RX3 1/4885P2RX2 3/4885DHFR 1126/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 P2RX3 1/4885P2RX2 3/4885DHFR 1126/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885DHFR 1648/4885

“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.