SCHEMBL20413269

SCHEMBL20413269

COc1cnc(C)nc1N[C@H](CO)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CX3CR1 P49238 8/20 0.42
▸ CXCR2 P25025 7/20 0.42
▸ TRPM8 Q7Z2W7 5/20 0.40
▸ ADORA1 P30542 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ CNR1 P21554 2/20 0.36

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
SCHEMBL20219410 0.90 TRPM8 (0.46) CX3CR1CXCR2TRPM8ADORA1TAS1R3
SCHEMBL20413265 0.86 CRHR1 (0.43) TRPM8MAPTSMN1; SMN2P2RX3P2RX2
SCHEMBL15469950 0.85 CX3CR1 (0.44) CX3CR1CXCR2TRPM8ADORA1P2RX3
SCHEMBL20219550 0.82 CXCR2 (0.38) CX3CR1CXCR2TRPM8ADORA1ADORA2A
SCHEMBL17208883 0.78 TRPM8 (0.55) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL20413303 0.76 TLR7 (0.37) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL15469787 0.75 TRPM8 (0.45) TRPM8ADORA1P2RX3P2RX2
SCHEMBL20413266 0.73 TRPM8 (0.41) TRPM8TAS1R3TAS1R1MITFLMNA
SCHEMBL23472223 0.73 TRPM8 (0.45) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL21768595 0.72 P2RX3 (0.40) CX3CR1CXCR2TAS1R3TAS1R1P2RX3

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
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 — — 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-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CX3CR1 1480/4885CXCR2 787/4885TRPM8 4192/4885

“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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