SCHEMBL15964744

SCHEMBL15964744

NC(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.54
▸ ADA P00813 3/20 0.52
▸ KDM4C Q9H3R0 2/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ KDM5B Q9UGL1 1/20 0.51
▸ KLKB1 P03952 1/20 0.50
▸ CYP2E1 P05181 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2B6 P20813 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CPB2 Q96IY4 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ RIPK1 Q13546 2/20 0.44
▸ PARP1 P09874 1/20 0.43

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
SCHEMBL3688462 0.87 KDM4C (0.57) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL15965385 0.84 KLKB1 (0.49) RBP4KLKB1CYP19A1
SCHEMBL16690901 0.84 RBP4 (0.54) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL15965384 0.83 KDM4C (0.57) ADAKDM4CNPC1RAB9A
SCHEMBL9714098 0.82 LMNA (0.50) RBP4ADAKDM4CKDM5AKDM5B
SCHEMBL24310642 0.81 KDM4C (0.52) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL31591084 0.81 USP30 (0.40) RBP4ADAKDM4CKDM5AKDM5B
SCHEMBL16689551 0.80 RBP4 (0.51) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL20344493 0.80 RBP4 (0.51) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL18367381 0.80 CDK5 (0.53) RBP4KDM4CKDM5AKDM5BKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314654-A A kind of intermediate and its preparation method and application being used to prepare Medetomidine 山东百诺医药股份有限公司 2018-07-24 — — CN claimed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 — — EP disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 — — EP disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 — — EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 — — EP disclosed
CN-110577519-A N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2019-12-17 — — CN disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 — — EP disclosed
CN-105829317-B Imidazopyrazines ketone derivatives 默克专利股份公司 2019-03-29 — — CN disclosed
CN-108368089-A Novel Compounds 特殊治疗有限公司 2018-08-03 — — CN disclosed
CN-108314654-A A kind of intermediate and its preparation method and application being used to prepare Medetomidine 山东百诺医药股份有限公司 2018-07-24 — — CN disclosed
US-9718826-B2 Imidazopyrazinone derivatives MERCK PATENT GMBH (DE) 2017-08-01 — — US disclosed
EP-3140295-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES Merck Patent GmbH (DE) 2017-03-15 — — EP disclosed
US-20170002010-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-05 — — US disclosed
US-20170002010-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-05 — — US disclosed
EP-3087076-A1 IMIDAZOPYRAZINONE DERIVATIVES Merck Patent GmbH (DE) 2016-11-02 — — EP disclosed
CN-105829317-A Imidazopyrazinone derivatives 默克专利股份公司 2016-08-03 — — CN disclosed
WO-2015169421-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-12 — — WO disclosed
WO-2015096884-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-02 — — WO disclosed
WO-2015096884-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-02 — — WO disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 — — 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-20170002010-A1 IMIDAZOPYRAZINONE DERIVATIVES IRAK1, IRAK3, TNKS RBP4 2910/4885ADA 3453/4885KDM4C 1105/4885

“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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