SCHEMBL11041767

SCHEMBL11041767

O=C(O)Cc1cccc2cncn12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.67
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
PTGIS Q16647 1/20 0.65

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
SCHEMBL10645568 0.84 TBXAS1 (0.64) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10980923 0.80 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL20295393 0.80 TBXAS1 (0.58) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10974315 0.79 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
Pirmagrel SCHEMBL636018 0.79 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10973204 0.79 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL19915722 0.79 TBXAS1 (0.70) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10845847 0.79 TBXAS1 (0.66) TBXAS1PTGS1PTGS2PTGIS
Pirmagrel SCHEMBL11069774 0.78 TBXAS1 (0.97) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11133803 0.77 TBXAS1 (0.74) 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 10 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
EP-0068386-B1 SUBSTITUTED IMIDAZO(1,5-A)PYRIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS CIBA-GEIGY AG (CH) 1985-12-18 EP disclosed
US-4470986-A ISCHEMIA, SHOCK, THROMBOSIS CIBA-GEIGY CORPORATION (US) 1984-09-11 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 (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.