SCHEMBL950945

SCHEMBL950945

c1ccc2[nH]c(-c3ncncn3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.64
▸ RAB9A P51151 14/20 0.64
▸ KDM4E B2RXH2 11/20 0.64
▸ ALDH1A1 P00352 10/20 0.64
▸ SMN1; SMN2 Q16637 8/20 0.64
▸ PKM P14618 5/20 0.64
▸ HSD17B10 Q99714 5/20 0.64
▸ TP53 P04637 4/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ GAA P10253 2/20 0.56
▸ PKN1 Q16512 1/20 0.56
▸ PKN2 Q16513 1/20 0.56
▸ HPGD P15428 6/20 0.54
▸ METAP2 P50579 3/20 0.54
▸ METAP1 P53582 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ ADORA3 P0DMS8 2/20 0.53
▸ ADORA2A P29274 1/20 0.53

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
SCHEMBL30174323 1.00 NPC1 (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30659968 0.85 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30659969 0.85 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1535707 0.85 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2491054 0.83 KDM4E (0.67) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30561047 0.80 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30634854 0.80 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL172216 0.80 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2466325 0.79 RAB9A (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Water SCHEMBL9817804 0.78 NPC1 (0.95) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114350230-B Preparation method of flame-retardant high-hardness epoxy resin floor paint 深圳市朗迈新材料科技有限公司 2022-10-14 — — CN claimed
CN-114350230-A Preparation method of flame-retardant high-hardness epoxy resin floor paint 深圳市朗迈新材料科技有限公司 2022-04-15 — — CN claimed
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 — — EP claimed
US-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-02-05 — — US claimed
US-6576631-B1 Broad disease control spectrum; residual effectiveness, rainfastness; nondamaging to crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 — — US claimed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 — — EP claimed
CN-114423173-B Copper-clad ceramic substrate with high bonding strength and preparation process thereof 南通威斯派尔半导体技术有限公司 2023-04-07 — — CN disclosed
CN-115697345-A Preparation of 1,3, 5-triazinylbenzimidazoles 梅制药公司 2023-02-03 — — CN disclosed
CN-115697345-A Preparation of 1,3, 5-triazinylbenzimidazoles 梅制药公司 2023-02-03 — — CN disclosed
CN-115697345-A Preparation of 1,3, 5-triazinylbenzimidazoles 梅制药公司 2023-02-03 — — CN disclosed
CN-114350230-B Preparation method of flame-retardant high-hardness epoxy resin floor paint 深圳市朗迈新材料科技有限公司 2022-10-14 — — CN disclosed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 — — US disclosed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 — — US disclosed
CN-1333768-A Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-30 — — CN disclosed
CN-1333768-A Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-30 — — CN disclosed
JP-2001322903-A GERMICIDAL COMPOSITION FOR AGRICULTURE AND HORTICULTURE KUMIAI CHEM IND CO LTD 2001-11-20 — — JP disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 — — EP disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 — — EP disclosed
WO-2000029404-A8 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-09-08 — — WO disclosed
WO-2000029404-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-05-25 — — 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-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. CBR3, TH, CASP3 NPC1 3727/4885RAB9A 3456/4885KDM4E 840/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 NPC1 2473/4885RAB9A 1755/4885KDM4E 3448/4885

“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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