SCHEMBL31436730

SCHEMBL31436730

Cc1c(CC#N)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.36
BTK Q06187 3/20 0.36
ESR2 Q92731 1/20 0.34
LPL P06858 4/20 0.33
LIPG Q9Y5X9 4/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL23210795 1.00 JAK2 (0.36) JAK2BTKESR2LPLLIPG
SCHEMBL30821196 0.86 LPL (0.39) ESR2LPLLIPGALDH1A1HPGD
SCHEMBL534206 0.86 LPL (0.39) ESR2LPLLIPGALDH1A1HPGD
SCHEMBL17660374 0.81 JAK2 (0.41) JAK2BTKLPLLIPG
SCHEMBL29288003 0.80 JAK2 (0.38) JAK2BTKLPLLIPG
SCHEMBL20540433 0.80 JAK2 (0.39) JAK2BTKLPLLIPG
SCHEMBL15000450 0.80 PDCD1 (0.42) JAK2BTKLPLLIPG
SCHEMBL29712932 0.80 PDCD1 (0.42) JAK2BTKLPLLIPG
SCHEMBL11927624 0.78 LPL (0.44) JAK2BTKLPLLIPG
SCHEMBL21805011 0.77 MAP4K1 (0.46) JAK2BTK

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-20250057852-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION 2025-02-20 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-20250057852-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 JAK2 89/4885BTK 193/4885ESR2 1105/4885

“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.