SCHEMBL19915737

SCHEMBL19915737

CC(=O)OC(C(=O)O)c1c(-c2ccccc2)ccc2cncn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.44
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
PTGS1 P23219 2/20 0.34
PGR P06401 1/20 0.34
PDE4A P27815 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TBXAS1 P24557 5/20 0.33
PTGS2 P35354 1/20 0.32
PTGIS Q16647 1/20 0.32

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
SCHEMBL19915975 0.81 IDO1 (0.51) IDO1ALDH1A1PTGS1TBXAS1PTGS2
SCHEMBL19915735 0.81 IDO1 (0.51) IDO1
SCHEMBL19915741 0.80 IDO1 (0.48) IDO1PTGS1TBXAS1PTGS2PTGIS
SCHEMBL19915736 0.75 IDO1 (0.48) IDO1ALDH1A1CYP3A4TBXAS1
SCHEMBL21060560 0.72 IDO1 (0.45) IDO1ALDH1A1
SCHEMBL19915858 0.71 IDO1 (0.50) IDO1ALDH1A1
SCHEMBL19915855 0.71 IDO1 (0.55) IDO1PTGS1TBXAS1PTGS2PTGIS
SCHEMBL21060557 0.68 IDO1 (0.66) IDO1ALDH1A1TBXAS1
SCHEMBL19915639 0.68 IDO1 (0.63) IDO1PTGS1TBXAS1PTGS2PTGIS
SCHEMBL19915893 0.67 IDO1 (0.54) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689652-B Fused heterocyclic derivative, preparation method and medical application thereof 北京诺诚健华医药科技有限公司 2022-04-26 CN disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 US disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 US disclosed
WO-2018036414-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2018-03-01 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-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT IDO1 1/4885ALDH1A1 890/4885CYP3A4 112/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT IDO1 1/4885ALDH1A1 890/4885CYP3A4 112/4885

“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.