SCHEMBL16192149

SCHEMBL16192149

COc1nsc(OC(N)=O)n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL28767631 0.77 P2RX3 (0.31)
SCHEMBL29211469 0.73
SCHEMBL28952056 0.73 ALDH1A1 (0.41)
SCHEMBL29011021 0.73
SCHEMBL28952050 0.69 MEN1 (0.40)
SCHEMBL31337149 0.67 NPC1 (0.32)
SCHEMBL29211484 0.66 HRH4 (0.40)
SCHEMBL7398610 0.66 NPC1 (0.35) PTGS2
SCHEMBL9256983 0.65 GAA (0.35)
SCHEMBL998696 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139327-A1 PRODRUG COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF MINGHUI PHARMACEUTICAL (HANGZHOU) LIMITED (CN) 2024-05-02 US disclosed
CN-113631557-B JAK kinase inhibitor, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-03-15 CN disclosed
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN disclosed
EP-4293020-A1 PRODRUG COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Minghui Pharmaceutical (Hangzhou) Limited (CN) 2023-12-20 EP disclosed
CN-116848104-A Prodrug compound and preparation method and application thereof 明慧医药(杭州)有限公司 2023-10-03 CN disclosed
CN-111320633-B Pyrrole/imidazo six-membered heteroaromatic ring compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-09-27 CN disclosed
CN-114591321-A Aza-and-cyclic compounds, method for the production thereof and use thereof 广州费米子科技有限责任公司 2022-06-07 CN disclosed
CN-113631557-A JAK kinase inhibitor, preparation method thereof and application thereof in medical field 上海华汇拓医药科技有限公司 2021-11-09 CN disclosed
CN-111936144-A JAK inhibitors 廖细斌 2020-11-13 CN disclosed
WO-2020182159-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2020-09-17 WO disclosed
CN-111320633-A Pyrrole/imidazo six-membered heteroaromatic ring compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2020-06-23 CN disclosed
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-01 US disclosed
US-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-08-09 US disclosed
EP-2796460-B1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2018-07-04 EP disclosed
EP-3006445-B1 BISULFATE OF JANUS KINASE (JAK) INHIBITOR AND PREPARATION METHOD THEREFOR JIANGSU HENGRUI MEDICINE CO (CN) 2017-11-15 EP disclosed
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2017-02-16 US disclosed
EP-3006445-A1 BISULFATE OF JANUS KINASE (JAK) INHIBITOR AND PREPARATION METHOD THEREFOR Jiangsu Hengrui Medicine Co. Ltd. (CN) 2016-04-13 EP disclosed
EP-2796460-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2014-10-29 EP 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 (4 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-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF DHFR, PPOX, PAH CHRM2 4665/4885CHRM4 4760/4885CHRM5 4548/4885
US-20240139327-A1 PRODRUG COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, NOTUM CHRM2 4491/4885CHRM4 4377/4885CHRM5 4381/4885
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JAK2, JAK1, JAK3 CHRM2 4852/4885CHRM4 4878/4885CHRM5 4854/4885
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof DHFR, PPOX, PAH CHRM2 4665/4885CHRM4 4760/4885CHRM5 4548/4885

“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.