SCHEMBL31069770

SCHEMBL31069770

NC(=O)c1ccc(-n2ccnc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 4/20 0.49
CYP3A4 P08684 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ENPP2 Q13822 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP19A1 P11511 2/20 0.45
IDO1 P14902 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
DGAT1 O75907 1/20 0.45
HTT P42858 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NOTUM Q6P988 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL12316383 0.84 MKNK1 (0.51) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL15746111 0.82 HTT (0.48) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL8425351 0.81 MAPT (0.51) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL1785529 0.79 IDO1 (0.53) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL12316382 0.79 CYP11B1 (0.51) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL5303631 0.79 MAOB (0.52) ADH5CYP3A4BAZ2BCYP19A1CYP11B1
SCHEMBL3568818 0.77 DGAT1 (0.43) LMNAMKNK1MKNK2DGAT1HTT
SCHEMBL4674986 0.77 PDE4A (0.46) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL12362830 0.76 ENPP2 (0.58) ADH5CYP3A4BAZ2BMAPTLMNA
SCHEMBL6259515 0.76 LMNA (0.58) ADH5CYP3A4MAPTLMNAENPP2

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-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors NOVARTIS AG (CH) 2024-09-10 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 (2 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-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors YAP1, TEAD3, TEAD2 ADH5 2640/4885CYP3A4 2005/4885BAZ2B 92/4885
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 ADH5 2640/4885CYP3A4 2005/4885BAZ2B 92/4885

“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.