SCHEMBL373583

SCHEMBL373583

c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
TGFBR1 P36897 6/20 0.55
NFATC1 O95644 1/20 0.47
DYRK1A Q13627 1/20 0.47
BMP4 P12644 2/20 0.46
ADORA2A P29274 1/20 0.45
AURKA O14965 1/20 0.45
TTK P33981 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM4 Q14833 3/20 0.43
HTR2B P41595 1/20 0.43
MTNR1A P48039 1/20 0.43

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
SCHEMBL18292297 0.91 NFATC1 (0.51) MAPK14TGFBR1NFATC1DYRK1ABMP4
SCHEMBL14519488 0.88 MAPK14 (0.55) MAPK14TGFBR1NFATC1DYRK1AADORA2A
SCHEMBL18292299 0.87 TGFBR1 (0.56) MAPK14TGFBR1NFATC1DYRK1ABMP4
SCHEMBL2047631 0.85 TDO2 (0.47) MAPK14TGFBR1NFATC1DYRK1AAURKA
SCHEMBL373665 0.84 TGFBR1 (0.56) MAPK14TGFBR1NFATC1DYRK1ABMP4
SCHEMBL29504909 0.84 TGFBR1 (0.56) MAPK14TGFBR1NFATC1DYRK1ABMP4
SCHEMBL29547877 0.84 TGFBR1 (0.56) MAPK14TGFBR1NFATC1DYRK1ABMP4
SCHEMBL27566240 0.82 TGFBR1 (0.53) MAPK14TGFBR1NFATC1DYRK1ABMP4
SCHEMBL373237 0.82 MAPK14 (0.64) MAPK14TGFBR1ADORA2AAURKATTK
SCHEMBL2059662 0.81 NCF1 (0.50) MAPK14TGFBR1NFATC1DYRK1ABMP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107109367-A Method for preparing nerve tissue 大日本住友制药株式会社 2017-08-29 CN disclosed
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20140031547-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED 2014-01-30 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 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 (3 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-20140031547-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1G3 MAPK14 871/4885TGFBR1 2376/4885NFATC1 1923/4885
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D MAPK14 636/4885TGFBR1 3476/4885NFATC1 2002/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK MAPK14 2025/4885TGFBR1 1324/4885NFATC1 2867/4885

“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.