SCHEMBL25403249

SCHEMBL25403249

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.44
▸ CFTR P13569 5/20 0.39
▸ ACVR1 Q04771 1/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PTGER1 P34995 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ SORT1 Q99523 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
SCHEMBL26295479 0.90 P2RX7 (0.41) AHRCFTRP2RX7TP53POLB
SCHEMBL26295471 0.87 ACVR1B (0.46) P2RX7TP53POLBKDM4EMEN1
SCHEMBL26295453 0.87 ACVR1B (0.46) P2RX7TP53POLBKDM4EMEN1
SCHEMBL26294121 0.85 AHR (0.49) AHRCFTRACVR1TP53MEN1
SCHEMBL26294134 0.82 AHR (0.63) AHRCFTRACVR1TP53MAPT
SCHEMBL26294114 0.82 AHR (0.63) AHRCFTRACVR1TP53MAPT
SCHEMBL26295458 0.81 P2RX7 (0.46) P2RX7TP53POLBKDM4EMEN1
SCHEMBL23390604 0.81 AHR (0.45) AHRACVR1P2RX7
SCHEMBL23390603 0.81 AHR (0.45) AHRACVR1P2RX7
SCHEMBL26294345 0.81 AHR (0.45) AHRACVR1P2RX7

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 2 patents. 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
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 1/4885CFTR 136/4885ACVR1 759/4885

“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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