SCHEMBL1521290

SCHEMBL1521290

NOCc1cccc(-c2ccncc2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGXT P21549 12/20 0.73
PRKCI P41743 1/20 0.61
PRMT6 Q96LA8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.53
IDO1 P14902 13/20 0.50
CYP3A4 P08684 3/20 0.50
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 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
SCHEMBL1521029 0.85 AGXT (1.00) AGXTIDO1CYP3A4
SCHEMBL18885245 0.82 PRKCI (0.61) AGXTPRKCIPRMT6HRH3CYP3A4
SCHEMBL301749 0.79 PRKCI (0.67) PRKCIPRMT6HRH3CYP3A4CYP17A1
SCHEMBL29059534 0.79 PRKCI (0.57) AGXTPRKCIPRMT6HRH3CYP3A4
SCHEMBL1521252 0.79 AGXT (0.73) AGXTIDO1CYP3A4
SCHEMBL1521149 0.79 AGXT (0.73) AGXTIDO1CYP3A4
SCHEMBL15677919 0.78 PRKCI (0.56) AGXTPRKCIPRMT6HRH3CYP3A4
Hydrochloric Acid SCHEMBL972408 0.78 PRKCI (0.65) PRKCIPRMT6HRH3CYP3A4CYP17A1
Hydrochloric Acid SCHEMBL970902 0.78 PRKCI (0.65) PRKCIPRMT6HRH3CYP3A4CYP17A1
Hydrochloric Acid SCHEMBL14686234 0.77 AGXT (0.71) AGXTIDO1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
WO-2019051198-A1 PRODRUG INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2019-03-14 WO disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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 (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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT AGXT 365/4885PRKCI 3815/4885PRMT6 393/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT AGXT 285/4885PRKCI 4344/4885PRMT6 436/4885

“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.