SCHEMBL1949028

SCHEMBL1949028

CNC(=O)Cn1cncc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.53
CYP11B2 P19099 7/20 0.53
IDO1 P14902 3/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
RAB9A P51151 2/20 0.43
HPGDS O60760 1/20 0.43
PLK1 P53350 1/20 0.41

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
SCHEMBL1951126 0.86 CYP11B1 (0.50) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL1948648 0.83 CYP11B1 (0.48) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL5324373 0.83 CYP11B1 (0.60) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL1950645 0.82 CYP11B1 (0.53) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL1950890 0.80 CYP11B1 (0.57) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL27831350 0.77 ALDH1A1 (0.70) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL12545573 0.76 CYP11B1 (0.55) CYP11B1CYP11B2IDO1ALDH1A1SMN1; SMN2
SCHEMBL1947124 0.74 CYP11B1 (0.50) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL1501902 0.74 CYP11B1 (0.66) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL5966816 0.73 CYP11B1 (0.56) CYP11B1CYP11B2IDO1MEN1KMT2A

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.