SCHEMBL21148770

SCHEMBL21148770

CCc1cn(C(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6124221 0.81 CPA1 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL23346521 0.71 — —
SCHEMBL15267784 0.71 — —
SCHEMBL23571443 0.71 — —
SCHEMBL27574103 0.71 — —
SCHEMBL20012745 0.69 KDM5A (0.31) TSHRCYP2C19
SCHEMBL27790380 0.69 CPB2 (0.33) TSHR
SCHEMBL21430353 0.69 CYP2C9 (0.31) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL419467 0.69 — —
SCHEMBL20907767 0.68 CPA1 (0.31) —

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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP2C9 2231/4885TSHR 4797/4885CYP2C19 890/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CYP2C9 2747/4885TSHR 4832/4885CYP2C19 870/4885

“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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