SCHEMBL20413266

SCHEMBL20413266

CCCC(COC)Nc1nc(C)ncc1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 5/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ CRHR1 P34998 9/20 0.39
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TLR8 Q9NR97 4/20 0.34
▸ TLR7 Q9NYK1 3/20 0.34

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
SCHEMBL21769266 0.85 TLR7 (0.41) TRPM8TAS1R3TAS1R1TLR8TLR7
SCHEMBL15469980 0.85 TLR7 (0.41) TRPM8TAS1R3TAS1R1TLR8TLR7
SCHEMBL23472108 0.84 CRHR1 (0.41) TRPM8TAS1R3TAS1R1CRHR1LMNA
SCHEMBL20219523 0.80 CRHR1 (0.40) CRHR1TLR8TLR7
SCHEMBL20413264 0.80 CRHR1 (0.40) CRHR1TLR8TLR7
SCHEMBL20219370 0.79 CYP2D6 (0.40) CRHR1TLR8TLR7
SCHEMBL20413293 0.79 CYP2D6 (0.40) CRHR1TLR8TLR7
SCHEMBL20413265 0.78 CRHR1 (0.43) TRPM8CRHR1MAPTSMN1; SMN2
SCHEMBL20413303 0.76 TLR7 (0.37) TRPM8CRHR1MITFLMNAMAPT
SCHEMBL18644353 0.76 TLR7 (0.37) TRPM8CRHR1TLR8TLR7

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 TRPM8 4192/4885TAS1R3 4063/4885TAS1R1 4059/4885

“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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