SCHEMBL277776

SCHEMBL277776

[O]c1ccc2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.59
NOS1 P29475 4/20 0.59
ROCK1 Q13464 4/20 0.59
MAPT P10636 2/20 0.59
METAP2 P50579 1/20 0.59
CSNK2A1 P68400 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 1/20 0.55
MAOB P27338 1/20 0.55
CLK1 P49759 2/20 0.53
GSK3B P49841 2/20 0.53
DYRK3 O43781 1/20 0.53

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
SCHEMBL277779 0.83 NOS1 (0.59) NOS1MAPTMETAP2CSNK2A1KDM4E
SCHEMBL3997427 0.75 NOS1 (0.55) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL907620 0.74 NOS1 (0.59) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL5562 0.74 NOS1 (1.00) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL3497213 0.74 TRPA1 (0.59) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL264176 0.74 NOS1 (1.00) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL3995547 0.74 NOS1 (0.59) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL3540025 0.74 NOS1 (1.00) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL117208 0.74 ROCK2 (1.00) ROCK2NOS1ROCK1MAPTMETAP2
SCHEMBL277777 0.74 ROCK2 (0.59) ROCK2NOS1ROCK1MAPTMETAP2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113439080-B Vinylpyridine carboxamides as PD-L1 immunomodulators 上海复星医药产业发展有限公司 2022-12-20 CN disclosed
US-20220144806-A1 VINYLPYRIDINE CARBOXAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR ShanghaiFosunPharmaceuticalIndustrialDevelopmentCo., (CN) 2022-05-12 US disclosed
US-20220119368-A1 FLUOROVINYLBENZAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR ShanghaiFosunPharmaceuticalIndustrialDevelopmentCo.,Ltd (CN) 2022-04-21 US disclosed
EP-3919478-A1 VINYLPYRIDINE CARBOXAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR Medshine Discovery Inc. (CN) 2021-12-08 EP disclosed
EP-3919477-A1 FLUOROVINYLBENZAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR Medshine Discovery Inc. (CN) 2021-12-08 EP disclosed
CN-113439080-A Vinylpyridine carboxamides as PD-L1 immunomodulators 南京明德新药研发有限公司 2021-09-24 CN disclosed
CN-112752749-B Fluorovinylbenzamide compounds as PD-L1 immunomodulators 南京明德新药研发有限公司 2021-07-16 CN disclosed
CN-107922349-B Vinyl compounds as FGFR and VEGFR inhibitors 哈尔滨珍宝制药有限公司 2021-05-07 CN disclosed
CN-112752749-A Fluorovinylbenzamide compounds as PD-L1 immunomodulators 南京明德新药研发有限公司 2021-05-04 CN disclosed
EP-3333157-B1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS HARBIN ZHENBAO PHARMACEUTICAL CO LTD (CN) 2020-12-23 EP disclosed
EP-1947101-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2008-07-23 EP disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (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-20220144806-A1 VINYLPYRIDINE CARBOXAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR PDCD1, CD274, PDCD1LG2 ROCK2 3190/4885NOS1 3600/4885ROCK1 3790/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 ROCK2 3325/4885NOS1 1363/4885ROCK1 3396/4885
US-20220119368-A1 FLUOROVINYLBENZAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR CD274, PDCD1LG2, PDCD1 ROCK2 2949/4885NOS1 4457/4885ROCK1 3743/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ROCK2 3331/4885NOS1 1328/4885ROCK1 3435/4885

“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.