SCHEMBL4514604

SCHEMBL4514604

COc1ccc2cc(-c3ccncc3)ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.76
PDGFRB P09619 2/20 0.66
PDGFRA P16234 2/20 0.66
CYP11B2 P19099 12/20 0.65
CYP11B1 P15538 11/20 0.65
CYP19A1 P11511 1/20 0.65
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
HSD17B1 P14061 1/20 0.63
HSD17B2 P37059 1/20 0.63
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GSTP1 P09211 1/20 0.55
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
DYRK1A Q13627 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
SCHEMBL18770313 0.87 CYP17A1 (1.00) CYP17A1PDGFRBPDGFRACYP11B2CYP11B1
SCHEMBL3020390 0.86 HSD17B1 (0.76) CYP17A1CYP11B2CYP11B1CYP19A1CYP1A2
SCHEMBL11723032 0.85 HSD17B1 (0.83) CYP17A1CYP11B2CYP11B1CYP19A1CYP1A2
SCHEMBL12051687 0.85 HSD17B1 (0.83) CYP17A1CYP11B2CYP11B1CYP19A1CYP1A2
SCHEMBL6338303 0.84 CYP17A1 (0.57) CYP17A1PDGFRBPDGFRACYP11B2CYP11B1
SCHEMBL4094356 0.83 KDM4E (0.71) CYP17A1PDGFRBPDGFRACYP1A2CYP3A4
SCHEMBL29733664 0.83 KDM4E (0.71) CYP17A1PDGFRBPDGFRACYP1A2CYP3A4
SCHEMBL9612000 0.83 LMNA (0.61) CYP17A1PDGFRBPDGFRACYP11B2CYP11B1
SCHEMBL20664519 0.82 HSD17B1 (0.70) CYP17A1CYP11B2CYP11B1CYP19A1CYP1A2
SCHEMBL5981250 0.82 HSD17B1 (0.70) CYP17A1CYP11B2CYP11B1CYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US claimed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US disclosed
EP-1853261-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2007-11-14 EP disclosed
WO-2006092430-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2006-09-08 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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP17A1 9/4885PDGFRB 2920/4885PDGFRA 4093/4885

“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.