SCHEMBL31447876

SCHEMBL31447876

C=C(OCC)c1ncc(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ TLR4 O00206 4/20 0.33
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ P2RY12 Q9H244 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
SCHEMBL22866555 0.81 AGBL2 (0.33) AGBL2
SCHEMBL29560210 0.81 AGBL2 (0.33) AGBL2
SCHEMBL18394836 0.81 NPC1 (0.49) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL30861678 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1HTTNPSR1
SCHEMBL29213677 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1HTTNPSR1
SCHEMBL28495539 0.78 S1PR1 (0.39) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL14830838 0.78 CYP2C9 (0.47) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL23293554 0.73 DGAT1 (0.32) ALDH1A1MAPTNPSR1DGAT1AGBL2
SCHEMBL30741506 0.73 OPRK1 (0.37) ALDH1A1MAPTMAPK1HTTNPSR1
SCHEMBL29183346 0.73 OPRK1 (0.37) ALDH1A1MAPTMAPK1HTTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514794-B1 FGFR2 INHIBITOR COMPOUNDS LILLY CO ELI (US) 2026-03-25 — — EP disclosed
US-20250263409-A1 FGFR2 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2025-08-21 — — US disclosed
CN-119421882-A FGFR2 inhibitor compounds 伊莱利利公司 2025-02-11 — — CN 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-20250263409-A1 FGFR2 INHIBITOR COMPOUNDS FGFR2, FGFR1, FGFR3 ALDH1A1 2293/4885NPC1 2201/4885TP53 374/4885

“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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