SCHEMBL1319000

SCHEMBL1319000

Nc1ccc(-c2nn(C3CCOC3)c3ncnc(N)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.71
▸ PIK3CD O00329 15/20 0.71
▸ PIK3CA P42336 15/20 0.71
▸ PIK3CB P42338 15/20 0.71
▸ PIK3CG P48736 15/20 0.71
▸ PRKDC P78527 15/20 0.71
▸ EGFR P00533 15/20 0.71
▸ ABL1 P00519 14/20 0.71
▸ HCK P08631 14/20 0.71
▸ SRC P12931 14/20 0.71
▸ MTOR P42345 14/20 0.71
▸ EPHB4 P54760 14/20 0.71
▸ PI4KB Q9UBF8 10/20 0.71
▸ RET P07949 3/20 0.61
▸ LCK P06239 1/20 0.54
▸ LYN P07948 1/20 0.54
▸ BTK Q06187 1/20 0.54

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
SCHEMBL1318998 1.00 KDR (0.71) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1319895 1.00 KDR (0.71) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096496 0.93 PIK3CD (0.61) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13020092 0.91 KDR (0.74) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13020103 0.91 KDR (0.74) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23997323 0.90 PIK3CD (0.58) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23997146 0.86 BTK (0.65) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1320199 0.86 KDR (0.63) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1321276 0.86 KDR (0.63) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1320201 0.86 KDR (0.63) KDRPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 — — CN disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 — — US disclosed
CN-116075513-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-05-05 — — CN disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
WO-2022166610-A1 PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-08-11 — — WO disclosed
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 — — WO disclosed
EP-2358720-B1 FUSED RING HETEROARYL KINASE INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 — — EP disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 — — US disclosed
US-8697709-B2 Fused ring heteroaryl kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-15 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — 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 (4 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 KDR 4072/4885PIK3CD 1435/4885PIK3CA 908/4885
US-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 KDR 4859/4885PIK3CD 2956/4885PIK3CA 3212/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 KDR 4751/4885PIK3CD 3373/4885PIK3CA 3263/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK KDR 837/4885PIK3CD 276/4885PIK3CA 269/4885

“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.

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