SCHEMBL4515256

SCHEMBL4515256

Cn1cncc1-c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
HPGDS O60760 1/20 0.53
GSK3B P49841 14/20 0.49
DYRK1A Q13627 14/20 0.49
WNT1 P04628 3/20 0.48
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45

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
SCHEMBL22874232 0.93 IDO1 (0.59) IDO1HPGDSGSK3BDYRK1AWNT1
SCHEMBL972964 0.77 HPGDS (0.73) IDO1HPGDSCYP11B1CYP11B2
SCHEMBL21128683 0.77 IDO1 (0.68) IDO1HPGDSGSK3BDYRK1ACYP11B1
SCHEMBL7528332 0.77 IDO1 (0.50) IDO1HPGDSGSK3BDYRK1AWNT1
SCHEMBL20916196 0.76 GSK3B (0.55) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL28035340 0.75 IDO1 (0.64) IDO1HPGDSGSK3BDYRK1ACYP11B1
SCHEMBL17559204 0.74 FGFR1 (0.51) IDO1GSK3BDYRK1AMAPK9MMP2
SCHEMBL19546668 0.74 GSK3B (0.65) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL21566691 0.73 IDO1 (0.62) IDO1HPGDSGSK3BDYRK1AWNT1
SCHEMBL4979643 0.73 IDO1 (0.53) IDO1HPGDSCYP17A1

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 IDO1 913/4885HPGDS 370/4885GSK3B 84/4885

“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.