SCHEMBL10197253

SCHEMBL10197253

Pn1ccc2ccncc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
MAPT P10636 16/20 0.47
CDC7 O00311 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL10197254 0.83 CDC7 (0.45) CYP19A1MAPTCDC7CDK2
SCHEMBL19190841 0.74 CYP19A1 (0.49) CYP19A1MAPTCDC7CDK2
SCHEMBL30768345 0.74 CYP19A1 (0.49) CYP19A1MAPTCDC7CDK2
SCHEMBL28042900 0.74 CYP19A1 (0.53) CYP19A1MAPTCDC7CDK2
SCHEMBL1892608 0.74 CYP19A1 (0.49) CYP19A1MAPTCDC7CDK2
SCHEMBL18821827 0.74 CYP19A1 (0.49) CYP19A1MAPTCDC7CDK2
SCHEMBL29509135 0.74 MAPT (0.68) CYP19A1MAPTCDC7CDK2
SCHEMBL255050 0.74 MAPT (0.68) CYP19A1MAPTCDC7CDK2
SCHEMBL3224575 0.74 CDC7 (0.50) CYP19A1MAPTCDC7CDK2
SCHEMBL6741126 0.71 CYP19A1 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CYP19A1 1130/4885MAPT 1101/4885CDC7 929/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CYP19A1 1130/4885MAPT 1101/4885CDC7 929/4885

“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.