SCHEMBL21768595

SCHEMBL21768595

COc1cnc(N)cc1N[C@H](CO)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 9/20 0.40
▸ P2RX2 Q9UBL9 9/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ CXCR2 P25025 1/20 0.38
▸ CX3CR1 P49238 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ TRPC6 Q9Y210 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CD274 Q9NZQ7 1/20 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
SCHEMBL15469950 0.76 CX3CR1 (0.44) P2RX3P2RX2CXCR2CX3CR1
SCHEMBL21768599 0.74 TAS1R3 (0.39) P2RX3P2RX2TAS1R3TAS1R1TRPC6
SCHEMBL20413269 0.72 CX3CR1 (0.42) P2RX3P2RX2TAS1R3TAS1R1CXCR2
SCHEMBL20219550 0.68 CXCR2 (0.38) P2RX3P2RX2TAS1R3TAS1R1CXCR2
SCHEMBL15469787 0.67 TRPM8 (0.45) P2RX3P2RX2
SCHEMBL4854316 0.65 CYP1A2 (0.39) TAS1R3TAS1R1CXCR2CX3CR1IRAK4
SCHEMBL29637494 0.64 NOS3 (0.44) P2RX3P2RX2TRPC6
SCHEMBL2894993 0.64 NOS3 (0.44) P2RX3P2RX2TRPC6
SCHEMBL29637497 0.64 NOS3 (0.44) P2RX3P2RX2TRPC6
SCHEMBL23472478 0.62 TLR7 (0.41) 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 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 P2RX3 215/4885P2RX2 235/4885TAS1R3 4063/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 P2RX3 215/4885P2RX2 235/4885TAS1R3 4063/4885

“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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