SCHEMBL26294145

SCHEMBL26294145

Nc1c(C(=O)NC[C@@H](O)C(F)(F)F)cc(-c2ccc(OC(F)(F)F)nc2)nc1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.51
▸ GABRA5 P31644 3/20 0.41
▸ CFTR P13569 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ ACVR1 Q04771 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL26294134 0.90 AHR (0.63) AHRCFTRACVR1TP53MAPT
SCHEMBL26294114 0.90 AHR (0.63) AHRCFTRACVR1TP53MAPT
SCHEMBL26294121 0.86 AHR (0.49) AHRCFTRCYP2C9ACVR1TP53
SCHEMBL23390604 0.86 AHR (0.45) AHRCYP2C9ACVR1MAPK1TDP1
SCHEMBL23390603 0.86 AHR (0.45) AHRCYP2C9ACVR1MAPK1TDP1
SCHEMBL26294345 0.86 AHR (0.45) AHRCYP2C9ACVR1MAPK1TDP1
SCHEMBL25403249 0.81 AHR (0.44) AHRGABRA5CFTRACVR1TP53
SCHEMBL26294251 0.79 ACVR1B (0.43) CYP2C9TP53TDP1HCRTR1HCRTR2
SCHEMBL26294348 0.75 ACVR1B (0.44) CYP2C9TP53MAPK1ALDH1A1TDP1
SCHEMBL26294429 0.73 MAPK1 (0.42) AHRACVR1TP53MAPK1KDM4E

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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 — — 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 AHR 1/4885GABRA5 1499/4885CFTR 136/4885

“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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