SCHEMBL1502359

SCHEMBL1502359

CSc1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.40
ALDH1A3 P47895 1/20 0.36
PTGS2 P35354 3/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
APP P05067 3/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
FAAH O00519 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL25081163 0.84 PTPRZ1 (0.40) APPNPC1MITFPKMRAB9A
SCHEMBL20054187 0.81 AKT1 (0.30)
SCHEMBL1502459 0.79 IDO1 (0.54) PTGS2
SCHEMBL25080670 0.79 NPC1 (0.40) NPC1MITFPKMRAB9ASMN1; SMN2
SCHEMBL5478060 0.78 METAP2 (0.44) NISCHNPC1MITFPKMRAB9A
SCHEMBL13514507 0.74 METAP2 (0.44)
SCHEMBL464496 0.74 MAPK1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4063789 0.74 AKT1 (0.43) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL4379353 0.74 IDO1 (0.39)
SCHEMBL1283665 0.74 KEAP1 (0.44) APPNPC1PKMRAB9ASMN1; SMN2

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 7 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-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
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP 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 NISCH 1863/4885ALDH1A3 1838/4885PTGS2 560/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT NISCH 1863/4885ALDH1A3 1838/4885PTGS2 560/4885

“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.