SCHEMBL21768599

SCHEMBL21768599

CCCC(COC)Nc1cc(N)ncc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.39
▸ TAS1R1 Q7RTX1 4/20 0.39
▸ EGFR P00533 2/20 0.34
▸ TRPC6 Q9Y210 2/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TLR8 Q9NR97 4/20 0.31
▸ TLR7 Q9NYK1 3/20 0.31
▸ BRAF P15056 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31

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 0.76 TLR7 (0.41) TAS1R3TAS1R1P2RX3P2RX2CYP2D6
SCHEMBL15469980 0.76 TLR7 (0.41) TAS1R3TAS1R1P2RX3P2RX2CYP2D6
SCHEMBL21768595 0.74 P2RX3 (0.40) TAS1R3TAS1R1TRPC6P2RX3P2RX2
SCHEMBL20413266 0.72 TRPM8 (0.41) TAS1R3TAS1R1TLR8TLR7TRPM8
SCHEMBL21769268 0.69 KCNH2 (0.42) TRPC6CYP2D6DRD1HTR2AADORA1
SCHEMBL25891581 0.69 MAPT (0.45) TAS1R3TAS1R1CYP2D6DRD1HTR2A
SCHEMBL22502131 0.66 MCHR1 (0.44) TLR8
SCHEMBL20418750 0.65 TLR8 (0.45) CYP2D6DRD1HTR2AADORA1TLR8
SCHEMBL6469022 0.64 HCAR3 (0.38) TAS1R3TAS1R1
SCHEMBL29637494 0.64 NOS3 (0.44) EGFRTRPC6P2RX3P2RX2

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
US-10780089-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2020-09-22 — — US disclosed
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2020-02-27 — — 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 (2 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-10780089-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TAS1R3 4063/4885TAS1R1 4059/4885EGFR 2694/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TAS1R3 4063/4885TAS1R1 4059/4885EGFR 2694/4885

“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.

Send feedback