Sugi Predict

Sugi Predict / Compounds / SCHEMBL17632576

SCHEMBL17632576

SCHEMBL17632576

O=[N+]([O-])c1cn(-c2cccnc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.56
▸ CYP2E1 P05181 3/20 0.56
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA5 P30532 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ELANE P08246 1/20 0.37

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
SCHEMBL19031388 0.82 HTR2A (0.57) HTR2AHTR2CHTR2BMEN1MAPT
SCHEMBL25198136 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BMAPT
SCHEMBL27719706 0.79 KEAP1 (0.51) CYP2A6CYP2E1MAPTCHRNB2CHRNA5
SCHEMBL27699429 0.78 TLR2 (0.52) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL28772169 0.77 KDM4E (0.50) CYP2A6CYP2E1CYP3A4KDM4ECYP2C9
SCHEMBL27699265 0.75 CYP2A6 (0.46) CYP2A6CYP2E1CYP3A4KDM4ECYP2C9
SCHEMBL4166591 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL28884845 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BMAPT
SCHEMBL25215053 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BCYP2C19MEN1
SCHEMBL31095263 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 — — CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 — — US disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 — — CN disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 — — US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 — — US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 — — US disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 — — CN disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 — — US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 — — US disclosed
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2022-10-20 — — US disclosed
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 — — EP disclosed
CN-107001339-B Novel compounds 特殊治疗有限公司 2020-03-17 — — CN disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 — — US disclosed
US-10392380-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2019-08-27 — — US disclosed
WO-2018232094-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE BIOCRYST PHARMACEUTICALS, INC. (US) 2018-12-20 — — WO disclosed
US-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 — — US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 — — US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 — — US disclosed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — 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 (11 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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A CYP2A6 3544/4885CYP2E1 3611/4885HTR2A 4075/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A CYP2A6 3544/4885CYP2E1 3611/4885HTR2A 4075/4885
US-20180162852-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2A6 3100/4885CYP2E1 2840/4885HTR2A 4646/4885
US-10392380-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2A6 2951/4885CYP2E1 2556/4885HTR2A 4690/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2A6 2951/4885CYP2E1 2556/4885HTR2A 4690/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A CYP2A6 3544/4885CYP2E1 3611/4885HTR2A 4075/4885
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A CYP2A6 3544/4885CYP2E1 3611/4885HTR2A 4075/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A CYP2A6 3544/4885CYP2E1 3611/4885HTR2A 4075/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2A6 3100/4885CYP2E1 2840/4885HTR2A 4646/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2A6 3100/4885CYP2E1 2840/4885HTR2A 4646/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2A6 3100/4885CYP2E1 2840/4885HTR2A 4646/4885

“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.