SCHEMBL172127

SCHEMBL172127

Cc1nc(C)c(C)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ PARP1 P09874 6/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL13934652 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1PARP1TNKS2
SCHEMBL8058002 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1KMT2APARP1
SCHEMBL9996283 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1PARP1TNKS2
SCHEMBL718210 0.75 NPSR1 (0.52) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL3390495 0.75 KMT2A (0.41) ALDH1A1L3MBTL1KMT2APARP1SMN1; SMN2
SCHEMBL13406334 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1KMT2APARP1
SCHEMBL18950161 0.72 KDM4C (0.46) ALDH1A1KMT2AGAASMN1; SMN2POLB
SCHEMBL15470617 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1PARP1TNKS2
SCHEMBL9616337 0.72 L3MBTL1 (0.54) ALDH1A1L3MBTL1KMT2ATNKS2SMN1; SMN2
SCHEMBL11990814 0.72 GAA (0.59) ALDH1A1L3MBTL1MAPK1KMT2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 — — US disclosed
EP-3573718-B1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2022-06-01 — — EP disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 — — EP disclosed
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2021-05-20 — — US disclosed
US-10961270-B2 Compounds and compositions for treating conditions associated with sting activity INNATE TUMOR IMMUNITY, INC. (US) 2021-03-30 — — US disclosed
WO-2020239107-A1 TETRACYCLIC COMPOUNDS AS CDC7 INHIBITORS 正大天晴药业集团股份有限公司 2020-12-03 — — WO disclosed
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2020-05-28 — — US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
WO-2017184999-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 — — WO disclosed
EP-2213674-B1 PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS CHONGQING PHARM RES INST CO (CN) 2012-03-07 — — EP disclosed
US-20100305319-A1 METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED Chongquing Pharmaceutical Research Institute Co. ltd (CN) 2010-12-02 — — US disclosed
US-20100305319-A1 METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED Chongquing Pharmaceutical Research Institute Co. ltd (CN) 2010-12-02 — — US disclosed
EP-2213674-A1 PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS Chongqing Pharmaceutical Research Institute Co., Ltd. (CN) 2010-08-04 — — EP disclosed
US-7767626-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-03 — — US disclosed
US-7612105-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-11-03 — — US disclosed
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-02 — — US disclosed
EP-0153746-B1 3-AMINO-2-HYDROXYPROPYL DERIVATIVES OF PYRIMIDIN-4-ONE MERCK & CO. INC. (US) 1990-11-22 — — EP disclosed
US-4598149-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1986-07-01 — — US disclosed
EP-0153746-A2 3-Amino-2-hydroxypropyl derivatives of pyrimidin-4-one MERCK & CO. INC. (US) 1985-09-04 — — 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 (6 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-10961270-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 ALDH1A1 4624/4885L3MBTL1 2384/4885MAPK1 1629/4885
US-20100305319-A1 METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED SLC13A3, SLC34A3, SLC28A1 ALDH1A1 2625/4885L3MBTL1 2850/4885MAPK1 779/4885
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 ALDH1A1 457/4885L3MBTL1 222/4885MAPK1 3364/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4624/4885L3MBTL1 2384/4885MAPK1 1629/4885
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 ALDH1A1 2726/4885L3MBTL1 817/4885MAPK1 3081/4885
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4624/4885L3MBTL1 2384/4885MAPK1 1629/4885

“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.

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