SCHEMBL17407550

SCHEMBL17407550

Brc1cc(Cn2ccnc2)cc(Cn2ccnc2)c1

nearest known ligand 0.93

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.70
CYP11B2 P19099 12/20 0.70
ADRA2C P18825 1/20 0.70
CYP19A1 P11511 5/20 0.68
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
TBXAS1 P24557 1/20 0.56
QPCT Q16769 1/20 0.56
CYP4Z1 Q86W10 1/20 0.56
QPCTL Q9NXS2 1/20 0.56
CYP2A6 P11509 1/20 0.55
CYP2B6 P20813 1/20 0.55

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
SCHEMBL31060578 0.96 CYP11B1 (0.70) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL28101470 0.90 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL19223688 0.88 CYP11B1 (0.60) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL17974017 0.88 CYP11B1 (0.78) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL17923065 0.88 CYP11B1 (0.63) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL22485661 0.85 CYP11B1 (0.62) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL21854602 0.84 CYP11B1 (0.56) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL21711995 0.83 TBXAS1 (0.58) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL1848631 0.82 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL707075 0.81 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2

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-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 US disclosed
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 US disclosed
US-20160002268-A1 ZINC COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-07 US disclosed
US-20160002268-A1 ZINC COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-07 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-20160002268-A1 ZINC COMPLEX SLC39A11, SLC39A3, SOD1 CYP11B1 3357/4885CYP11B2 3467/4885ADRA2C 4106/4885

“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.