SCHEMBL1948732

SCHEMBL1948732

N#Cc1cccc(Cn2cncc2-c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.74
CYP11B2 P19099 14/20 0.74
IDO1 P14902 2/20 0.67
HPGDS O60760 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP19A1 P11511 1/20 0.51
P2RX7 Q99572 1/20 0.47
ADORA2A P29274 1/20 0.47
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL1949482 0.85 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSCYP19A1
SCHEMBL1501929 0.81 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1950698 0.80 CYP11B1 (0.77) CYP11B1CYP11B2IDO1HPGDSALDH1A1
SCHEMBL1951504 0.80 CYP11B1 (0.72) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1949518 0.80 CYP11B1 (0.72) CYP11B1CYP11B2IDO1HPGDSALDH1A1
SCHEMBL3828287 0.78 CYP11B1 (1.00) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL1947984 0.77 CYP11B1 (0.76) CYP11B1CYP11B2IDO1HPGDSALDH1A1
SCHEMBL8139285 0.76 CYP11B1 (0.71) CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL3972715 0.75 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1949856 0.74 CYP11B1 (0.63) CYP11B1CYP11B2IDO1HPGDSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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 (2 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885

“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.