SCHEMBL707208

SCHEMBL707208

NC(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 1.00
LMNA P02545 2/20 0.71
NPC1 O15118 10/20 0.67
RAB9A P51151 9/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
PKM P14618 4/20 0.67
MAOB P27338 1/20 0.67
ADORA2A P29274 1/20 0.67
HSD17B10 Q99714 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
TP53 P04637 2/20 0.60
SCD O00767 1/20 0.60
GAA P10253 1/20 0.60
OPRK1 P41145 1/20 0.60
KLF5 Q13887 1/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL29776932 1.00 CYP3A4 (1.00) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL23566380 0.86 NPC1 (0.75) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL204726 0.84 NPC1 (0.73) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL9154906 0.83 CYP3A4 (0.71) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL7788764 0.83 LMNA (0.71) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12020635 0.83 LMNA (0.71) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL707871 0.83 CYP3A4 (0.71) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2379989 0.83 CYP3A4 (0.71) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28800545 0.83 CYP3A4 (0.71) CYP3A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL30968980 0.83 LMNA (1.00) CYP3A4LMNANPC1RAB9ASMN1; 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 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128568-A1 BENZIMIDAZOLYLUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF 경북대학교 산학협력단 2024-06-20 WO claimed
CN-112830897-A Ureido-containing benzimidazole derivative and preparation method and application thereof 石家庄以岭药业股份有限公司 2021-05-25 CN claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
US-20130317222-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-1-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL]-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED 2013-11-28 US claimed
EP-2663558-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-{1-HYDROXY-1-METHYL-ETHYL}PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL}-1H-BENZIMIDAZOL-2-YL]UREA Vertex Pharmaceuticals Incorporated (US) 2013-11-20 EP claimed
CN-103384666-A Solid forms of gyrase inhibitor (R)-1-ethyl-3-[5-[2-{1-hydroxy-1-methyl-ethyl}pyrimidin-5-yl]-7-(tetrahydrofuran-2-yl}-1h-benzimidazol-2-yl]urea VERTEX PHARMA 2013-11-06 CN claimed
US-8481552-B2 Solid forms of gyrase inhibitor (R)-1-ethyl-3-[5-[2-(1-hydroxy-1-methyl-ethyl)pyrimidin-5-YL]-7-(tetrahydrofuran-2-yl)-1H-benzimidazol-2-YL]urea VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US claimed
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US claimed
WO-2012097270-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-{1-HYDROXY-1-METHYL-ETHYL}PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL}-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 WO claimed
EP-2005169-A2 USE OF ADDITIVES FOR THE REDUCTION OF NON-SPECIFIC BINDING IN ASSAYS AOKIN AG (DE) 2008-12-24 EP claimed
EP-2005170-A1 USE OF ADDITIVES TO LOWER THE RATE OF A BINDING REACTION AOKIN AG (DE) 2008-12-24 EP claimed
WO-2007111851-A1 USE OF ADDITIVES TO LOWER THE RATE OF A BINDING REACTION AOKIN AG (DE) 2007-10-04 WO claimed
WO-2007111847-A2 USE OF ADDITIVES FOR THE REDUCTION OF NON-SPECIFIC BINDING IN ASSAYS AOKIN AG (DE) 2007-10-04 WO claimed
EP-1363625-A4 COMBINATIONS OF DRUGS (E.G., A BENZIMIDAZOLE AND PENTAMIDINE) FOR THE TREATMENT OF NEOPLASTIC DISORDERS COMBINATORX INC (US) 2004-07-14 EP claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-1363625-A1 COMBINATIONS OF DRUGS (E.G., A BENZIMIDAZOLE AND PENTAMIDINE) FOR THE TREATMENT OF NEOPLASTIC DISORDERS Combinatorx, Incorporated (US) 2003-11-26 EP claimed
US-20020165261-A1 Combinations of drugs (e.g., a benzimidazole and pentamidine) for the treatment of neoplastic disorders ZALICUS INC. 2002-11-07 US claimed
WO-2002058697-A1 COMBINATIONS OF DRUGS (E.G., A BENZIMIDAZOLE AND PENTAMIDINE) FOR THE TREATMENT OF NEOPLASTIC DISORDERS COMBINATORX, INCORPORATED (US) 2002-08-01 WO claimed
US-5527711-A Method and reagents for binding chemical analytes to a substrate surface, and related analytical devices and diagnostic techniques HEWLETT PACKARD COMPANY (US) 1996-06-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130317222-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-1-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL]-1H-BENZIMIDAZOL-2-YL]UREA TOP1, TOP2A, TOP2B CYP3A4 177/4885LMNA 1793/4885NPC1 3854/4885
US-20020165261-A1 Combinations of drugs (e.g., a benzimidazole and pentamidine) for the treatment of neoplastic disorders DHFR, DPYD, VHL CYP3A4 27/4885LMNA 2776/4885NPC1 2404/4885
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA TOP1, TOP2A, TOP2B CYP3A4 169/4885LMNA 1827/4885NPC1 3910/4885

“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.