SCHEMBL30704741

SCHEMBL30704741

C=CC(=O)Nc1cc(-n2nc(-c3ccc(C(F)(F)F)cc3)c3ccccc32)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.50
▸ PTGER1 P34995 2/20 0.48
▸ TGM2 P21980 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GSTO1 P78417 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EPHB4 P54760 1/20 0.39

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
SCHEMBL26912332 1.00 BTK (0.50) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL26911652 0.93 BTK (0.49) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL30446347 0.93 BTK (0.49) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL26911512 0.92 BTK (0.48) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL30446349 0.92 BTK (0.48) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL26911085 0.90 BTK (0.61) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL30446277 0.90 BTK (0.61) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL30446340 0.90 BTK (0.51) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL26911322 0.90 BTK (0.51) BTKPTGER1TGM2KDM4ENPSR1
SCHEMBL30446247 0.89 BTK (0.46) BTKPTGER1TGM2KDM4ENPSR1

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-20230391779-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-12-07 — — 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-20230391779-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND USE THEREOF CYP11B2, CYP11B1, CYP27A1 BTK 2459/4885PTGER1 431/4885TGM2 1961/4885

“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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