SCHEMBL31593546

SCHEMBL31593546

Cn1nc(NC(=O)[C@@H]2CC2(F)F)c(C2CCC2)c1C1CC(F)(F)C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ JAK2 O60674 3/20 0.30
▸ JAK1 P23458 3/20 0.30
▸ JAK3 P52333 3/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL31593420 1.00 TYK2 (0.31) TYK2KDM4EALDH1A1JAK2JAK1
SCHEMBL31593508 0.92 BACE1 (0.31) TYK2
SCHEMBL31593489 0.92 BACE1 (0.31) TYK2
SCHEMBL31593509 0.84 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL31593564 0.84 GRM4 (0.32) ALDH1A1
SCHEMBL31593681 0.83 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL31593662 0.82 WNT1 (0.35) KDM4EALDH1A1
SCHEMBL31593481 0.82 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL31593460 0.81 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL31593559 0.80 DGAT1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171430-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD (US) 2025-05-29 — — 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-20250171430-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS KCNA7, KCNK17, KCNT1 TYK2 3835/4885KDM4E 1571/4885ALDH1A1 3403/4885

“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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