SCHEMBL19915722

SCHEMBL19915722

CCOC(=O)Cc1cccc2cncn12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.70
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PTGIS Q16647 1/20 0.50
IDO1 P14902 1/20 0.45

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
SCHEMBL11031173 0.83 TBXAS1 (0.98) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10648637 0.82 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11041767 0.79 TBXAS1 (0.67) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10648281 0.79 TBXAS1 (0.72) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL19915720 0.78 TBXAS1 (0.48) TBXAS1IDO1
SCHEMBL11105577 0.77 TBXAS1 (0.55) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11102249 0.76 TBXAS1 (0.62) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11030720 0.76 TBXAS1 (0.70) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11034757 0.76 TBXAS1 (0.62) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10649938 0.76 TBXAS1 (0.57) TBXAS1PTGS1PTGS2PTGIS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TBXAS1 1113/4885PTGS1 466/4885PTGS2 500/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT TBXAS1 1113/4885PTGS1 466/4885PTGS2 500/4885

“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.