SCHEMBL1950890

SCHEMBL1950890

NC(=O)Cn1cncc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.57
CYP11B2 P19099 6/20 0.57
IDO1 P14902 3/20 0.57
HPGDS O60760 1/20 0.46
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAP2K1 Q02750 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5324373 0.87 CYP11B1 (0.60) CYP11B1CYP11B2IDO1HPGDSPOLB
SCHEMBL12545697 0.84 CYP11B1 (0.54) CYP11B1CYP11B2IDO1HPGDSLMNA
SCHEMBL1948189 0.83 CYP11B1 (0.53) CYP11B1CYP11B2IDO1HPGDSLMNA
SCHEMBL1949028 0.80 CYP11B1 (0.53) CYP11B1CYP11B2IDO1HPGDSPOLB
SCHEMBL1950645 0.80 CYP11B1 (0.53) CYP11B1CYP11B2IDO1HPGDSPOLB
SCHEMBL27831350 0.78 ALDH1A1 (0.70) CYP11B1CYP11B2IDO1MEN1KMT2A
SCHEMBL5966816 0.77 CYP11B1 (0.56) CYP11B1CYP11B2IDO1HPGDSPOLB
SCHEMBL12545573 0.76 CYP11B1 (0.55) CYP11B1CYP11B2IDO1HPGDSALDH1A1
SCHEMBL1502108 0.75 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSCYP3A4
SCHEMBL1951361 0.75 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.