SCHEMBL26360418

SCHEMBL26360418

Cc1nc(N)nc(Oc2c(F)cc(F)cc2F)c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.36
PIK3CA P42336 2/20 0.35
SCN9A Q15858 2/20 0.33
DHFR P00374 3/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
GRM4 Q14833 1/20 0.30
MTOR P42345 1/20 0.30
SCN5A Q14524 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL26360421 0.84 GRM4 (0.36) PIK3CADHFRGRM4
SCHEMBL26360419 0.84 CYP1A2 (0.36) PIK3CADHFRGAA
SCHEMBL23998076 0.82 HSP90AA1 (0.35)
SCHEMBL30322631 0.82 HSP90AA1 (0.35)
SCHEMBL26360411 0.72 SMN1; SMN2 (0.48) KMT2AGAA
SCHEMBL26360456 0.70 PIK3CA (0.31) PIK3CA
SCHEMBL26360438 0.70 CYP1A2 (0.34) PIK3CADHFR
SCHEMBL30322701 0.68 HTT (0.33)
SCHEMBL23998071 0.68 HTT (0.33)
SCHEMBL23998055 0.67 HSP90AA1 (0.33) DHFR

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-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds ELI LILLY AND COMPANY (US) 2023-10-03 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-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds P2RX1, P2RX2, P2RY1 HTR5A 316/4885PIK3CA 2723/4885SCN9A 597/4885

“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.