SCHEMBL3555644

SCHEMBL3555644

Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CI

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.66
FNTB P49356 16/20 0.66
PGGT1B P53609 4/20 0.66
CYP3A4 P08684 4/20 0.61

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
SCHEMBL13529451 0.92 FNTA (0.67) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL29352433 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL8097 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
(S)-Tipifarnib SCHEMBL30436988 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
(S)-Tipifarnib SCHEMBL4429738 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL23633189 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL29371885 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL22772860 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL21544535 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4
Tipifarnib SCHEMBL94807 0.89 FNTA (0.80) FNTAFNTBPGGT1BCYP3A4

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-7700601-B2 Substituted indazoles of formula 1.0 that are kinase inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 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-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds BRCA1, PDK2, PDK1 FNTA 1642/4885FNTB 2837/4885PGGT1B 4213/4885

“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.