SCHEMBL4485428

SCHEMBL4485428

c1ccc2c3ccc(nn3)c2c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.87
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
LCK P06239 1/20 0.41
MAP2K3 P46734 1/20 0.41
MAP2K6 P52564 1/20 0.41
BTK Q06187 1/20 0.41
MAP3K19 Q56UN5 1/20 0.41
NEK10 Q6ZWH5 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAOA P21397 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
OPRM1 P35372 2/20 0.39
KCNH2 Q12809 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
Benzonaphthyridine SCHEMBL29600756 0.93 GPR3 (1.00) GPR3KDM4EMAPTLMNAHTT
Benzonaphthyridine SCHEMBL51197 0.93 GPR3 (1.00) GPR3KDM4EMAPTLMNAHTT
Benzonaphthyridine SCHEMBL30897319 0.93 GPR3 (1.00) GPR3KDM4EMAPTLMNAHTT
SCHEMBL38660002 0.78 GPR3 (0.61) GPR3LMNAHTTCYP1A2CYP2C19
SCHEMBL11202809 0.78 GPR3 (0.61) GPR3KDM4EMAPTLMNAHTT
SCHEMBL38660962 0.78 GPR3 (0.61) GPR3KDM4EMAPTCYP3A4HTT
SCHEMBL38661982 0.78 GPR3 (0.61) GPR3KDM4EMAPTLMNAHTT
SCHEMBL14627008 0.78 GPR3 (0.61) GPR3KDM4EMAPTCYP3A4LMNA
SCHEMBL11517561 0.78 GPR3 (0.61) GPR3KDM4EMAPTLMNAHTT
SCHEMBL11516837 0.78 GPR3 (0.61) GPR3LMNAHTTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655291-B1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO (JP) 2016-08-03 EP disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 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 (2 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-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR GPR3 53/4885KDM4E 4016/4885MAPT 4201/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR GPR3 1289/4885KDM4E 3179/4885MAPT 3495/4885

“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.