SCHEMBL6741126

SCHEMBL6741126

c1cc(-n2ccc3ccncc32)ccn1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.74
MAPT P10636 16/20 0.57
CDC7 O00311 1/20 0.56
CDK2 P24941 1/20 0.56

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
SCHEMBL1150379 0.89 CYP19A1 (0.70) CYP19A1MAPTCDC7CDK2
SCHEMBL12326973 0.85 CYP19A1 (1.00) CYP19A1MAPTCDC7CDK2
SCHEMBL17082853 0.85 CYP19A1 (0.71) CYP19A1MAPTCDC7CDK2
SCHEMBL16068156 0.85 CYP19A1 (0.71) CYP19A1MAPTCDC7CDK2
SCHEMBL30774450 0.80 BIRC5 (0.61) CYP19A1MAPTCDC7CDK2
SCHEMBL1131757 0.80 BIRC5 (0.61) CYP19A1MAPTCDC7CDK2
SCHEMBL30557228 0.79 CYP19A1 (0.58) CYP19A1MAPTCDC7CDK2
SCHEMBL12069252 0.79 CYP19A1 (0.57) CYP19A1MAPTCDC7CDK2
Hydrochloric Acid SCHEMBL30557205 0.78 CYP19A1 (0.56) CYP19A1MAPTCDC7CDK2
SCHEMBL30775500 0.77 MAPT (0.63) CYP19A1MAPTCDC7CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 WO 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 CYP19A1 1821/4885MAPT 4008/4885CDC7 787/4885

“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.