SCHEMBL2222933

SCHEMBL2222933

[c]1ccc(Cn2cnnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.41
CYP11B1 P15538 11/20 0.36
CYP11B2 P19099 10/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TBXAS1 P24557 1/20 0.35
QPCT Q16769 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP17A1 P05093 1/20 0.32

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
SCHEMBL1535118 0.76 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL160611 0.75 CYP11B1 (0.69) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL11372093 0.74 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2POLBMAPT
SCHEMBL14549033 0.73 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL2286797 0.72 CYP11B1 (0.64) CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL27605964 0.67 CYP19A1 (0.67) CYP19A1CYP3A4
SCHEMBL932804 0.67 HTR1A (0.37) CYP19A1POLB
SCHEMBL1571252 0.67 CYP19A1 (0.67) CYP19A1
SCHEMBL59637 0.64
SCHEMBL60705 0.64 HRH3 (0.66) MAPT

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-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 CYP19A1 30/4885CYP11B1 323/4885CYP11B2 327/4885

“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.