SCHEMBL19995809

SCHEMBL19995809

Cc1cc2c(cc1N)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.44
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
TERT O14746 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
SCHEMBL10232034 0.98 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL3822542 0.95 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL19995801 0.90 CYP3A4 (0.52) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL30604480 0.90 CYP3A4 (0.52) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL598875 0.81 NPC1 (0.46) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11347157 0.81 MEN1 (0.67) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL20939735 0.79 DRD2 (0.47) CYP3A4TSHRMAPK1HSD17B10NOS1
SCHEMBL25558931 0.79 HSD17B10 (0.45) HSD17B10
SCHEMBL5837186 0.75 KMT2A (0.59) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL3208997 0.75 POLB (0.42) ALDH1A1KDM4EMEN1GAAMAPT

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
EP-3515892-B1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2026-04-15 EP disclosed
CN-110392678-B Compounds and methods for IDO and TDO modulation, and indications therefor 普莱希科公司 2023-10-20 CN disclosed
US-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
US-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
EP-3768666-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2021-01-27 EP disclosed
CN-112119072-A Compounds and methods for IDO and TDO modulation, and indications thereof 普莱希科公司 2020-12-22 CN disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 WO disclosed
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 WO disclosed
EP-3515892-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2019-07-31 EP disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 WO disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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 (3 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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor IDO1, TDO2, IDO2 ALDH1A1 1010/4885KDM4E 1249/4885MEN1 1248/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 ALDH1A1 719/4885KDM4E 1546/4885MEN1 1599/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 ALDH1A1 1010/4885KDM4E 1249/4885MEN1 1248/4885

“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.