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
SCHEMBL13406334 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1KMT2APARP1
SCHEMBL3390495 0.75 KMT2A (0.41) ALDH1A1L3MBTL1KMT2APARP1SMN1; SMN2
SCHEMBL13934652 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1PARP1TNKS2
SCHEMBL9996283 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1PARP1TNKS2
SCHEMBL8058002 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1KMT2APARP1
SCHEMBL718210 0.75 NPSR1 (0.52) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL18950161 0.72 KDM4C (0.46) ALDH1A1KMT2AGAASMN1; SMN2POLB
SCHEMBL9616337 0.72 L3MBTL1 (0.54) ALDH1A1L3MBTL1KMT2ATNKS2SMN1; SMN2
SCHEMBL12621292 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1PARP1TNKS2
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.