SCHEMBL16135366

SCHEMBL16135366

O=C(CC1c2ccccc2-n2cncc21)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.61
TDO2 P48775 1/20 0.59
ALDH1A1 P00352 4/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLOD1 Q02809 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL16135431 0.92 IDO1 (0.63) IDO1TDO2ALDH1A1PLOD2PLOD3
SCHEMBL17651949 0.83 IDO1 (0.67) IDO1TDO2
SCHEMBL20129573 0.83 IDO1 (0.67) IDO1TDO2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL16135311 0.82 IDO1 (0.55) IDO1TDO2CYP3A4CYP2C9
SCHEMBL16135373 0.81 IDO1 (0.61) IDO1TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL16135330 0.80 IDO1 (0.57) IDO1TDO2ALDH1A1MAPT
SCHEMBL16135335 0.77 IDO1 (0.98) IDO1TDO2CYP3A4CYP2D6HTR2A
SCHEMBL16135314 0.76 IDO1 (0.53) IDO1TDO2ALDH1A1HPGDMAPT
SCHEMBL17651958 0.76 TDO2 (0.63) IDO1TDO2
SCHEMBL16135400 0.76 IDO1 (1.00) IDO1TDO2CYP3A4CYP2D6HTR2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3366678-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION Newlink Genetics Corporation (US) 2018-08-29 EP claimed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US claimed
EP-2976332-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION. NEWLINK GENETICS CORP (US) 2018-01-31 EP claimed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US claimed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US claimed
EP-3366678-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION Newlink Genetics Corporation (US) 2018-08-29 EP disclosed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US disclosed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US disclosed
US-9981973-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2018-05-29 US disclosed
EP-2976332-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION. NEWLINK GENETICS CORP (US) 2018-01-31 EP disclosed
EP-2976332-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION. NEWLINK GENETICS CORP (US) 2018-01-31 EP disclosed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US disclosed
US-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2017-09-14 US disclosed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US disclosed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US disclosed
US-9617272-B2 Tricyclic compounds as inhibitors of immunosuppression mediated by tryptophan metabolization NEWLINK GENETICS CORPORATION (US) 2017-04-11 US disclosed
US-20160060266-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2016-03-03 US disclosed
US-20160060266-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2016-03-03 US disclosed
US-20160060266-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization NEWLINK GENETICS CORPORATION 2016-03-03 US disclosed
WO-2014159248-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF IMMUNOSUPPRESSION MEDIATED BY TRYPTOPHAN METABOLIZATION NEWLINK GENETICS CORPORATION (US) 2014-10-02 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-20170260188-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization IDO1, IDO2, TDO2 IDO1 1/4885TDO2 3/4885ALDH1A1 2298/4885
US-20160060266-A1 Tricyclic Compounds as Inhibitors of Immunosuppression Mediated By Tryptophan Metabolization IDO1, IDO2, TDO2 IDO1 1/4885TDO2 3/4885ALDH1A1 2264/4885

“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.