SCHEMBL25210834

SCHEMBL25210834

COc1cc(F)ncc1NN

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ KDM1A O60341 4/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ PDGFRA P16234 2/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ FYN P06241 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CSF1R P07333 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
SCHEMBL25211327 0.81 PLAU (0.38) ALDH1A1KDM4EKMT2A
SCHEMBL25237933 0.81 FEN1 (0.32) MKNK1FEN1PDGFRBPDGFRA
SCHEMBL28051870 0.81 NNMT (0.39) MKNK1ALDH1A1CHEK1PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL28189575 0.79 NNMT (0.38) MKNK1ALDH1A1CHEK1PDGFRBPDGFRA
SCHEMBL25215031 0.76 NOS3 (0.31) —
SCHEMBL22805065 0.74 ALDH1A1 (0.43) ALDH1A1FYNMEN1MAPTKMT2A
SCHEMBL29572726 0.74 ALDH1A1 (0.43) ALDH1A1FYNMEN1MAPTKMT2A
SCHEMBL25218866 0.73 CHEK1 (0.38) MKNK1CHEK1ATR
SCHEMBL1827513 0.73 ALDH1A1 (0.39) ALDH1A1KDM1APDGFRBPDGFRAKDM4E
SCHEMBL28061256 0.72 L3MBTL1 (0.42) ALDH1A1FYNMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 — — EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 — — EP disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 — — US disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP 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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 MKNK1 3922/4885ALDH1A1 241/4885CHEK1 3897/4885

“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.

Send feedback