SCHEMBL30215809

SCHEMBL30215809

COc1cc(C(C)C)c(Cc2cnc(Nc3ccccc3)nc2N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.54
P2RX2 Q9UBL9 11/20 0.54
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
BRD4 O60885 1/20 0.42
JAK2 O60674 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PIK3CG P48736 1/20 0.40
GSK3B P49841 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
WEE1 P30291 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL5528015 1.00 P2RX3 (0.54) P2RX3P2RX2CDK1CDK4CCNB1
SCHEMBL2248409 0.92 P2RX3 (0.65) P2RX3P2RX2CDK1CDK4CCNB1
SCHEMBL30215810 0.92 P2RX3 (0.65) P2RX3P2RX2CDK1CDK4CCNB1
SCHEMBL30215806 0.91 P2RX3 (0.51) P2RX3P2RX2CDK2BRD4PIK3CG
SCHEMBL2248082 0.91 P2RX3 (0.51) P2RX3P2RX2CDK2BRD4PIK3CG
SCHEMBL5530818 0.87 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL2254702 0.87 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL30215850 0.87 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL5528157 0.86 P2RX3 (0.62) P2RX3P2RX2BRD4
SCHEMBL2253483 0.85 P2RX3 (0.51) 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 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 3/4885CDK1 1881/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 P2RX3 1/4885P2RX2 3/4885CDK1 1881/4885
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 2/4885CDK1 2949/4885

“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.