SCHEMBL29628797

SCHEMBL29628797

O=C(O)c1cc(F)ccc1-c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
HCRTR1 O43613 14/20 0.47
HCRTR2 O43614 10/20 0.47
DHODH Q02127 1/20 0.45
KMO O15229 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DHFR P00374 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CXCL12 P48061 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1586918 1.00 KEAP1 (0.49) KEAP1NAPRTHCRTR1HCRTR2DHODH
SCHEMBL1586269 0.86 NAPRT (0.49) KEAP1NAPRTHCRTR1HCRTR2DHODH
SCHEMBL17584502 0.86 KEAP1 (0.49) KEAP1HCRTR1HCRTR2DHODHKMO
SCHEMBL15836281 0.85 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL16666096 0.85 LMNA (0.47) HCRTR1HCRTR2LMNA
SCHEMBL19486956 0.83 TTR (0.40) HCRTR1HCRTR2DHODHKDM4EMEN1
SCHEMBL19902928 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL31585796 0.82 HCRTR1 (0.50) KEAP1NAPRTHCRTR1HCRTR2DHODH
SCHEMBL11897021 0.82 HCRTR1 (0.50) KEAP1NAPRTHCRTR1HCRTR2DHODH
SCHEMBL22190040 0.81 KEAP1 (0.63) KEAP1KMOKDM4EMEN1USP2

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-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
US-11324724-B2 N-(2,2-difluoroethyl)-N-[(pyrimidinylamino)propanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-10 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-11324724-B2 N-(2,2-difluoroethyl)-N-[(pyrimidinylamino)propanyl]arylcarboxamides HCRTR2, HCRTR1, CNR2 KEAP1 785/4885NAPRT 512/4885HCRTR1 2/4885

“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.