SCHEMBL31755983

SCHEMBL31755983

NC(=O)c1cn(-c2ccnc(C(F)(F)F)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.48
▸ GRIN1 Q05586 2/20 0.48
▸ GRIN2B Q13224 2/20 0.48
▸ NOTUM Q6P988 2/20 0.48
▸ ESRRA P11474 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ AR P10275 2/20 0.40
▸ GRM2 Q14416 4/20 0.39
▸ P2RY14 Q15391 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ DDT P30046 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ CHRM4 P08173 1/20 0.38

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
SCHEMBL30808861 0.80 RXRA (0.47) RXRAGRIN1GRIN2BNOTUMESRRA
SCHEMBL30808864 0.76 ESRRA (0.44) RXRAGRIN1GRIN2BNOTUMESRRA
SCHEMBL30808857 0.76 ESRRA (0.44) NOTUMESRRAFAAHMGLL
SCHEMBL28876225 0.76 BTK (0.41) RXRAGRIN1GRIN2BPARP1AR
SCHEMBL30399860 0.76 NOTUM (0.56) NOTUMESRRAP2RY14CA1CA2
SCHEMBL19211469 0.76 NOTUM (0.63) RXRAGRIN1GRIN2BNOTUM
SCHEMBL30808842 0.75 MAOA (0.51) NOTUMESRRACA1CA2CA4
SCHEMBL27137532 0.74 RXRA (0.48) RXRAGRIN1GRIN2BNOTUMAR
SCHEMBL30399461 0.72 NOTUM (0.57) RXRAGRIN1GRIN2BNOTUMESRRA
SCHEMBL30398809 0.71 CA1 (0.59) NOTUMESRRACA1CA2CA4

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-20260001871-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D ESCIENT PHARMACEUTICALS INC (US) 2026-01-01 — — 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-20260001871-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D MRGPRX2, MC2R, MRGPRX1 RXRA 527/4885GRIN1 412/4885GRIN2B 445/4885

“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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