SCHEMBL20413265

SCHEMBL20413265

CCC(CO)Nc1nc(C)ncc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.43
▸ FYN P06241 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ PDE1B Q01064 2/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ LATS1 O95835 1/20 0.38
▸ LATS2 Q9NRM7 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 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
SCHEMBL20413269 0.86 CX3CR1 (0.42) SMN1; SMN2TRPM8P2RX3P2RX2MAPT
SCHEMBL13195079 0.84 NUDT1 (0.43) FYNKDM4EALDH1A1NPC1HPGD
SCHEMBL20219410 0.79 TRPM8 (0.46) SMN1; SMN2TRPM8POLBMAPT
SCHEMBL20413266 0.78 TRPM8 (0.41) CRHR1SMN1; SMN2TRPM8MAPT
SCHEMBL23472223 0.78 TRPM8 (0.45) FYNKDM4EALDH1A1SMN1; SMN2TRPM8
SCHEMBL17208883 0.77 TRPM8 (0.55) SMN1; SMN2TRPM8P2RX3P2RX2MEN1
SCHEMBL20219523 0.77 CRHR1 (0.40) CRHR1
SCHEMBL20413264 0.77 CRHR1 (0.40) CRHR1
SCHEMBL20413303 0.76 TLR7 (0.37) CRHR1SMN1; SMN2TRPM8MAPT
SCHEMBL23472270 0.75 TLR8 (0.41) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CRHR1 4837/4885FYN 1830/4885KDM4E 1994/4885

“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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