SCHEMBL637183

SCHEMBL637183

N#CC(c1ccccc1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 1/20 0.57
ALDH1A1 P00352 8/20 0.50
HTT P42858 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 3/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
CHRM2 P08172 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5429300 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL11729549 0.86 ALDH1A1 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL10370952 0.86 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL11631375 0.86 L3MBTL1 (0.62) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
Hydrochloric Acid SCHEMBL28544066 0.84 L3MBTL1 (0.60) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL2132845 0.82 GAA (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL11632012 0.82 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL11632105 0.82 ALDH1A1 (0.56) SLC6A3ALDH1A1HTTL3MBTL1GAA
SCHEMBL11625524 0.82 GAA (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL25998638 0.82 L3MBTL1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101786982-A Method for synthetizing 2-pyridyl benzyl cyanide UNIV EAST CHINA NORMAL 2010-07-28 CN claimed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US claimed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP claimed
US-4072808-A Process for preparing elastomers for pressure-sensitive adhesive application GULF RESEARCH & DEVELOPMENT COMPANY (US) 1978-02-07 US claimed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
US-8552030-B2 Process for the preparation of d-threo-ritalinic acid hydrochloride by resolution of dl-threo-ritalinic acid using chiral carboxylic acid MALLADI DRUGS & PHARMACEUTICALS LTD. (IN) 2013-10-08 US disclosed
EP-1506961-B1 Processes for resolving piperidyl acetamide stereoisomers CELGENE CORP (US) 2012-02-22 EP disclosed
US-8008278-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2011-08-30 US disclosed
US-4081544-A ANTIDEPRESSANTS SCHERING CORPORATION (US) 1978-03-28 US disclosed
US-4073921-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-02-14 US disclosed
US-4072808-A Process for preparing elastomers for pressure-sensitive adhesive application GULF RESEARCH & DEVELOPMENT COMPANY (US) 1978-02-07 US disclosed
US-4025524-A ANTISPASMODIC, ANTIARRHYTHMIC, VIRICIDES G. D. SEARLE & CO. (US) 1977-05-24 US disclosed
US-3984557-A 1-R-3-PYRROLIDINYL-A-PHENYL-A-(2-PYRIDYL) ACETAMIDES, -ACETONITRILES, AND -METHANES A. H. ROBINS COMPANY, INCORPORATED (US) 1976-10-05 US disclosed
US-3956344-A Process for the production of substituted 2-benzoylpyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-11 US disclosed
US-3932431-A ANTIDEPRESSANT, ANTIINFLAMMATORY SCHERING CORPORATION (US) 1976-01-13 US disclosed
US-3932431-A ANTIDEPRESSANT, ANTIINFLAMMATORY SCHERING CORPORATION (US) 1976-01-13 US 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 (1 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A SLC6A2 3963/4885SLC6A4 4183/4885SLC6A3 4075/4885

“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.