SCHEMBL29400448

SCHEMBL29400448

CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.36
EGFR P00533 1/20 0.36
NR3C1 P04150 1/20 0.35
AURKA O14965 5/20 0.34
RPS6KB1 P23443 5/20 0.34
AURKB Q96GD4 2/20 0.34
LMNA P02545 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR2 P41597 1/20 0.32
CCR5 P51681 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
SCHEMBL19640460 1.00 TRPV1 (0.36) TRPV1EGFRNR3C1AURKARPS6KB1
SCHEMBL17501512 0.89 NR3C1 (0.36) TRPV1EGFRNR3C1AURKARPS6KB1
SCHEMBL19640385 0.87 KIF11 (0.41) TRPV1EGFRNR3C1AURKARPS6KB1
SCHEMBL29400051 0.87 KIF11 (0.41) TRPV1EGFRNR3C1AURKARPS6KB1
SCHEMBL19640436 0.85 PTK2 (0.38) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19640398 0.84 EGFR (0.40) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650884 0.82 TRPV1 (0.36) TRPV1CYP3A4USP2CYP1A2CYP2D6
SCHEMBL19640698 0.82 VNN1 (0.40) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL29400234 0.82 VNN1 (0.40) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19640424 0.80 PPARA (0.39) EGFRAURKARPS6KB1AURKBLMNA

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 TRPV1 1594/4885EGFR 1169/4885NR3C1 119/4885

“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.