SCHEMBL29398243

SCHEMBL29398243

CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.35
PTK2 Q05397 4/20 0.34
TRPM8 Q7Z2W7 6/20 0.33
GRIN2B Q13224 1/20 0.33
EGFR P00533 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL19640507 1.00 RORC (0.35) RORCPTK2TRPM8GRIN2BEGFR
SCHEMBL19640436 0.92 PTK2 (0.38) RORCPTK2EGFR
SCHEMBL19650916 0.86 KCNH2 (0.35) RORCEGFRCNR1CNR2P2RX3
SCHEMBL19640597 0.86 RORC (0.40) RORCTRPM8CNR1CNR2P2RX3
SCHEMBL19640606 0.86 PTK2 (0.38) RORCPTK2CNR1CNR2P2RX3
SCHEMBL29400570 0.86 PTK2 (0.38) RORCPTK2CNR1CNR2P2RX3
SCHEMBL29401722 0.84 RORC (0.39) RORCEGFR
SCHEMBL19640656 0.84 RORC (0.39) RORCEGFR
SCHEMBL19650918 0.83 EGFR (0.33) RORCTRPM8EGFRCNR1CNR2
SCHEMBL19640701 0.82 EGFR (0.33) RORCTRPM8EGFRCNR1CNR2

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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC RORC 3/4885PTK2 4147/4885TRPM8 2573/4885

“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.