SCHEMBL2840909

SCHEMBL2840909

C=Cc1cccnc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL28191858 0.85 MKNK1 (0.39) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL2393997 0.83 TRIM24 (0.50) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL754122 0.83 KDM4E (0.55) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL16239166 0.81 KDM4E (0.40) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL7222788 0.81 KDM4E (0.40) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL31628026 0.81 ALDH1A1 (0.41) KDM4EMAPTALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL16239168 0.81 KDM4E (0.53) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL1515655 0.79 MKNK1 (0.38) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL13388358 0.77 MAPT (0.37) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL13379447 0.77 MAPK1 (0.39) KDM4EMAPTALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152013-B2 Vinylpyridine carboxamide compound as PD-L1 immunomodulator NOVAONCO JS THERAPEUTICS CO., LTD. (CN) 2024-11-26 US disclosed
CN-115989224-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-04-18 CN disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
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
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
EP-3919478-A4 VINYLPYRIDINE CARBOXAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2022-12-07 EP disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
US-20220144806-A1 VINYLPYRIDINE CARBOXAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR ShanghaiFosunPharmaceuticalIndustrialDevelopmentCo., (CN) 2022-05-12 US 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-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
EP-2091936-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA LP (US) 2013-05-15 EP disclosed
US-8389549-B2 Substituted pyridines useful for treating pain PURDUE PHARMA L.P. (US) 2013-03-05 US disclosed
EP-2479173-A1 Therapeutic agents useful for treating pain Purdue Pharma LP (US) 2012-07-25 EP disclosed
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. 2010-05-27 US disclosed
EP-2091936-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Purdue Pharma LP (US) 2009-08-26 EP disclosed
WO-2008133973-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (DE) 2008-11-06 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 (5 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 KDM4E 110/4885MAPT 2887/4885ALDH1A1 135/4885
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 KDM4E 1401/4885MAPT 66/4885ALDH1A1 1904/4885
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain ARRB1, OPRK1, OPRD1 KDM4E 4611/4885MAPT 2790/4885ALDH1A1 587/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 KDM4E 1401/4885MAPT 66/4885ALDH1A1 1904/4885
US-12152013-B2 Vinylpyridine carboxamide compound as PD-L1 immunomodulator PDCD1, CD274, PDCD1LG2 KDM4E 110/4885MAPT 2887/4885ALDH1A1 135/4885

“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.