SCHEMBL314952

SCHEMBL314952

CCOC(=O)Cn1ccnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
PTGS2 P35354 2/20 0.40
ALOX15 P16050 1/20 0.40
PIN1 Q13526 1/20 0.39
PIN4 Q9Y237 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP19A1 P11511 5/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
Propionic Acid SCHEMBL28759042 0.94 MAPK1 (0.40) MAPK1GSK3AGSK3BHSD17B10PKM
SCHEMBL28759036 0.84 FOLH1 (0.37) HSD17B10ALOX15ALDH1A1CYP19A1
SCHEMBL4416473 0.83 ALDH1A1 (0.44) ALDH1A1MGAMGAASIMGAM2
SCHEMBL15007041 0.81 FOLH1 (0.38) CYP19A1
SCHEMBL19821311 0.81 FOLH1 (0.36) HSD17B10ALOX15ALDH1A1CYP19A1
SCHEMBL10082082 0.80 TNF (0.46) PTGS2GAA
SCHEMBL16586879 0.78 NPSR1 (0.43) PKMCYP19A1
SCHEMBL1093819 0.76 GSK3A (0.44) MAPK1GSK3AGSK3BHSD17B10PIN1
SCHEMBL10633527 0.76 HSD17B10 (0.61) MAPK1GSK3AGSK3BHSD17B10PKM
SCHEMBL2360786 0.76 FOLH1 (0.39) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114616227-B Nitrification inhibitor 墨尔本大学 2025-01-21 CN disclosed
CN-111825689-B Crystal form of dihydropyrazolone compound and preparation method thereof 中国医药研究开发中心有限公司 2023-05-05 CN disclosed
CN-109694380-B Dihydropyrazolone compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-09-27 CN disclosed
CN-111825690-B Novel crystal form of PHD inhibitor and preparation method thereof 中国医药研究开发中心有限公司 2022-09-27 CN disclosed
CN-114616227-A Nitrification inhibitors 墨尔本大学 2022-06-10 CN disclosed
CN-111825690-A Novel crystal form of PHD inhibitor and preparation method thereof 中国医药研究开发中心有限公司 2020-10-27 CN disclosed
CN-111825689-A Novel crystal form of dihydropyrazolone compound and preparation method thereof 中国医药研究开发中心有限公司 2020-10-27 CN disclosed
US-10358454-B2 Marinopyrrole derivatives and methods of making and using same H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-07-23 US disclosed
US-10301289-B2 Method for the preparation of triazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-10301289-B2 Method for the preparation of triazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
EP-1641788-A1 PREPARATION OF N2-ALKYLATED 1,2,3-TRIAZOLES Warner-Lambert Company LLC (US) 2006-04-05 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
WO-2005000841-A1 PREPARATION OF N2-ALKYLATED 1,2,3-TRIAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed
US-20040266848-A1 Preparation of N2-alkylated 1,2,3-triazoles HADD MARK ALLEN (US) 2004-12-30 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 (5 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-20040266848-A1 Preparation of N2-alkylated 1,2,3-triazoles PPARA, PPARG, PPARD MAPK1 1958/4885GSK3A 3127/4885GSK3B 3609/4885
US-10301289-B2 Method for the preparation of triazole compounds CYP4B1, BRI3BP, BRD4 MAPK1 655/4885GSK3A 3962/4885GSK3B 3099/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 MAPK1 3698/4885GSK3A 4478/4885GSK3B 4378/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 MAPK1 1695/4885GSK3A 1042/4885GSK3B 1236/4885
US-10358454-B2 Marinopyrrole derivatives and methods of making and using same MAP2K3, MDN1, POLR1C MAPK1 443/4885GSK3A 2214/4885GSK3B 1974/4885

“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.