SCHEMBL798608

SCHEMBL798608

C1=NCCc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP19A1 P11511 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL29918707 1.00 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL31326617 0.83 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL15088052 0.83 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL2853230 0.78
SCHEMBL29704485 0.78
SCHEMBL27943278 0.77
Iodide SCHEMBL27382621 0.77 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4
Isoquinoline SCHEMBL5124998 0.76 CYP11B1 (0.38) SIGMAR1CYP11B1CYP11B2CYP19A1
SCHEMBL56690 0.71 TRPA1 (0.42) CYP11B1CYP11B2CYP19A1
SCHEMBL16031737 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248939-A tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2019-09-17 CN claimed
CN-107735088-A Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2018-02-23 CN claimed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN claimed
US-12637461-B2 Compounds for the activation of AMPK PFIZER INC. (US) 2026-05-26 US disclosed
US-20240182468-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PFIZER (US) 2024-06-06 US disclosed
CN-117561255-A 3, 4-dihydro-2, 7-naphthyridine-1, 6 (2H, 7H) -dione compounds as MEK inhibitors 辉瑞公司 2024-02-13 CN disclosed
CN-117157069-A Compounds, compositions and methods for modulating FGF activity 康复治疗公司 2023-12-01 CN disclosed
CN-107501275-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
CN-107501274-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
CN-109890797-A It can be used as the substituted carbon nucleoside derivates of anticancer agent 辉瑞公司 2019-06-14 CN disclosed
CN-107735088-A Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2018-02-23 CN disclosed
CN-107629059-A It can be used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2018-01-26 CN disclosed
CN-107629057-A BET protein inhibitors and its application 上海勋和医药科技有限公司 2018-01-26 CN disclosed
CN-107501274-A It can be used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-107501275-A It can be used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-104903325-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2017-10-20 CN disclosed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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-20240182468-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PRKAG1, PRKAG2, PRKAB1 SIGMAR1 4770/4885CHRNB2 3597/4885CHRNA4 4061/4885
US-12637461-B2 Compounds for the activation of AMPK PRKAG1, PRKAB1, PRKAA1 SIGMAR1 1901/4885CHRNB2 1490/4885CHRNA4 1721/4885

“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.