SCHEMBL20345751

SCHEMBL20345751

Cc1ccc2nc(-c3cncnc3)n(C3CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 20/20 0.74
CYP11B1 P15538 16/20 0.74
CYP19A1 P11511 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL17896585 0.85 CYP11B2 (0.76) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL20337639 0.85 CYP11B2 (0.75) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL20337618 0.85 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL31411937 0.85 CYP11B2 (0.75) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL20337711 0.84 CYP11B2 (0.77) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL20337633 0.82 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL20337690 0.82 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL17678354 0.81 CYP11B2 (0.58) CYP11B2CYP11B1CYP19A1ADRA2BADRB1
SCHEMBL20338349 0.80 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL20337659 0.79 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 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-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH CYP11B2 405/4885CYP11B1 370/4885CYP19A1 1309/4885

“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.