SCHEMBL2828246

SCHEMBL2828246

FC(F)(F)c1cnc(N2CCNCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 16/20 0.47
ADRB1 P08588 3/20 0.42
EPHX2 P34913 1/20 0.42

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
Hydrochloric Acid SCHEMBL2823876 0.98 MLYCD (0.46) MLYCDADRB1EPHX2
Tert-Butyl Formate SCHEMBL27718994 0.84 MLYCD (0.40) MLYCDEPHX2
SCHEMBL24968222 0.80 TDP1 (0.55) MLYCD
SCHEMBL14083420 0.78 MLYCD (0.48) MLYCD
SCHEMBL28911177 0.76 MLYCD (0.49) MLYCD
Hydrochloric Acid SCHEMBL2824877 0.76 MEN1 (0.39) MLYCDADRB1EPHX2
SCHEMBL2628928 0.75 CHRNB2 (0.47)
SCHEMBL23296741 0.75 MLYCD (0.48) MLYCD
Hydrochloric Acid SCHEMBL23296989 0.74 MLYCD (0.47) MLYCD
SCHEMBL25072383 0.74 HDAC3 (0.59) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
EP-4234551-A2 PYRIDAZINONES AS PARP7 INHIBITORS Ribon Therapeutics Inc. (US) 2023-08-30 EP disclosed
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2023-06-22 US disclosed
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2023-06-22 US disclosed
US-11566020-B1 Pyridazinones as PARP7 inhibitors RIBON THERAPEUTICS, INC. (US) 2023-01-31 US disclosed
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 WO disclosed
US-11014913-B2 Pyridazinones as PARP7 inhibitors RIBON THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
CN-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 CN disclosed
US-20210024502-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2021-01-28 US disclosed
US-10870641-B2 Pyridazinones as PARP7 inhibitors RIBON THERAPEUTICS, INC. (US) 2020-12-22 US disclosed
WO-2020244460-A1 HETEROAROMATIC ACETAMIDE DERIVATIVE, AND PREPARATION AND USE THEREOF 杭州维坦医药科技有限公司 2020-12-10 WO disclosed
US-20200123134-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2020-04-23 US disclosed
US-10550105-B2 Pyridazinones as PARP7 inhibitors Ribon Therapeutics Inc. (US) 2020-02-04 US disclosed
US-20190330194-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2019-10-31 US disclosed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN disclosed
CN-101885708-B 5-polyfluoroalkyl group substituted 2-aminothiazole compound, synthesis method and application thereof SHANGHAI INST ORGANIC CHEM 2013-03-06 CN disclosed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN disclosed
CN-101885708-A 5-polyfluoroalkyl group substituted 2-aminothiazole compound, synthesis method and application thereof SHANGHAI INST ORGANIC CHEM 2010-11-17 CN disclosed
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 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 (8 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-20210024502-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-10550105-B2 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-20190330194-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-11014913-B2 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-11566020-B1 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-10870641-B2 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885
US-20200123134-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 MLYCD 2813/4885ADRB1 3022/4885EPHX2 3652/4885

“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.