SCHEMBL1950698

SCHEMBL1950698

Clc1cccc(Cn2cncc2-c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.77
CYP11B2 P19099 10/20 0.77
IDO1 P14902 4/20 0.77
HPGDS O60760 1/20 0.62
P2RX7 Q99572 1/20 0.57
SIGMAR1 Q99720 1/20 0.49
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1501929 0.88 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL15358471 0.88 CYP11B1 (0.58) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1949527 0.85 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1949518 0.83 CYP11B1 (0.72) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1951504 0.83 CYP11B1 (0.72) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1947984 0.81 CYP11B1 (0.76) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1948732 0.80 CYP11B1 (0.74) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3823466 0.79 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL15358467 0.78 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3972715 0.78 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7

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.