SCHEMBL25218583

SCHEMBL25218583

COc1nsc(-c2nnc3n2CCN[C@@H]3C)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.48
KCNH2 Q12809 10/20 0.38
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
TACR1 P25103 2/20 0.35
CYP2D6 P10635 1/20 0.35
TACR2 P21452 2/20 0.34

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
SCHEMBL25270292 1.00 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL14850677 0.84 TACR3 (0.55) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL16048971 0.84 TACR3 (0.55) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL16048972 0.84 TACR3 (0.55) TACR3KCNH2CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL14845003 0.83 TACR3 (0.54) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL14850681 0.82 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL14850680 0.82 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL16048667 0.82 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25214663 0.82 TACR3 (0.50) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25217428 0.82 TACR3 (0.50) TACR3KCNH2CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427412-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
EP-4190784-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-06-07 EP disclosed
CN-115427412-A Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-12-02 CN disclosed
WO-2022022680-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-02-03 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 (1 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-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, WEE1, SHBG TACR3 1264/4885KCNH2 797/4885CYP2C9 2212/4885

“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.