SCHEMBL1948376

SCHEMBL1948376

c1ccc2c(c1)OCCn1cncc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.50
PIK3CA P42336 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD1 P21728 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
KMT2A Q03164 1/20 0.34
MAP3K5 Q99683 3/20 0.33
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.33
TDO2 P48775 3/20 0.33
CYP3A4 P08684 2/20 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
SCHEMBL21461082 0.76 IDO1 (0.42) IDO1MAP3K5TDO2
SCHEMBL30122993 0.73 ITGB2 (0.39) PIK3CAADORA3DRD1SLC5A7ITGB2
SCHEMBL14212421 0.73 ITGB2 (0.39) PIK3CAADORA3DRD1SLC5A7ITGB2
Lithium Ion SCHEMBL31177674 0.73 TBXA2R (0.35) IDO1PIK3CAMAP3K5TSHR
SCHEMBL2775088 0.71 IDO1 (0.69) IDO1SMN1; SMN2PKMTDO2CYP3A4
SCHEMBL31177737 0.71 CYP2C9 (0.44) KMT2ALMNASMN1; SMN2TSHRHTT
SCHEMBL21461118 0.71 IDO1 (0.38) IDO1KMT2AMAP3K5SMN1; SMN2PKM
SCHEMBL14354345 0.71 MAP3K5 (0.51) PIK3CAMAP3K5
SCHEMBL29714649 0.69 ALDH1A1 (0.43) PIK3CAADORA3DRD1SLC5A7ITGB2
SCHEMBL12611427 0.68 PIK3CA (0.47) PIK3CAADORA3DRD1SLC5A7ITGB2

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 IDO1 1/4885PIK3CA 2314/4885ADORA3 299/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885PIK3CA 2314/4885ADORA3 299/4885

“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.