SCHEMBL311778

SCHEMBL311778

FC(F)(F)c1cccc(-c2c[nH]cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
SCN2A Q99250 2/20 0.49
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
KMO O15229 2/20 0.48
XDH P47989 1/20 0.48
MAOB P27338 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM1A O60341 1/20 0.45
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDO2 P48775 1/20 0.44
NOTUM Q6P988 2/20 0.43

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
SCHEMBL17300858 0.83 KIF11 (0.49) IDO1CTSSCTSK
SCHEMBL6407483 0.82 KDM1A (0.39) IDO1SCN2ACTSSCTSKXDH
SCHEMBL785845 0.79 KIF11 (0.45) SCN2AMAOBKDM1ANOTUM
SCHEMBL28200313 0.78 XDH (0.59) IDO1SCN2ACTSSCTSKKMO
SCHEMBL1502415 0.77 IDO1 (0.50) IDO1KMOMAOBKDM4EMEN1
SCHEMBL24337281 0.77 CYP11B2 (0.39)
SCHEMBL30641499 0.77 CYP11B2 (0.39)
SCHEMBL5672965 0.76 XDH (0.51) CTSSCTSKXDH
SCHEMBL18051397 0.75 NOTUM (0.44) CTSSCTSKKDM1ANOTUM
SCHEMBL7156561 0.75 IDO1 (0.53) IDO1SCN2ACTSSCTSKKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US claimed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN claimed
CN-107108577-A New compound 奇斯药制品公司 2017-08-29 CN 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-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
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US 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
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (4 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 IDO1 4787/4885SCN2A 889/4885CTSS 3082/4885
US-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885SCN2A 4411/4885CTSS 2421/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885SCN2A 4411/4885CTSS 2421/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 IDO1 4787/4885SCN2A 889/4885CTSS 3082/4885

“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.