SCHEMBL6316290

SCHEMBL6316290

N#Cc1ccc(Cc2cncn2Cc2ccc(-n3ccccc3=O)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.48
CYP11B2 P19099 8/20 0.48
FNTA P49354 7/20 0.46
FNTB P49356 7/20 0.46
PGGT1B P53609 6/20 0.45
KCNH2 Q12809 1/20 0.43
CYP19A1 P11511 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
SCHEMBL3501971 0.88 SMO (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL446009 0.88 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8009897 0.84 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8151902 0.83 SMO (0.40) CYP11B1CYP11B2
SCHEMBL8114048 0.82 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8151756 0.81 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8107070 0.81 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL448443 0.78 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8657909 0.78 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL28693185 0.77 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B

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-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 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-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CYP11B1 3248/4885CYP11B2 3772/4885FNTA 2966/4885

“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.