SCHEMBL3589452

SCHEMBL3589452

Nc1nc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.58
BACE1 P56817 2/20 0.56
PLAU P00749 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
DGAT1 O75907 3/20 0.55
KCNH2 Q12809 3/20 0.55
SCN10A Q9Y5Y9 1/20 0.55
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
CBFB Q13951 1/20 0.52
SOAT1 P35610 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ATP4A P20648 1/20 0.50
ATP4B P51164 1/20 0.50
KDR P35968 1/20 0.49

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
SCHEMBL30672494 1.00 NPBWR1 (0.58) NPBWR1BACE1PLAUHTR3EHTR3B
SCHEMBL30218684 0.86 MASP2 (0.48) NPBWR1BACE1PLAUHTR3EHTR3B
SCHEMBL2360716 0.86 MASP2 (0.48) NPBWR1BACE1PLAUHTR3EHTR3B
SCHEMBL5679483 0.82 SCN10A (0.66) BACE1PLAUHTR3EHTR3BHTR3A
SCHEMBL30618511 0.82 SCN10A (0.66) BACE1PLAUHTR3EHTR3BHTR3A
SCHEMBL10694441 0.80 KDM4E (0.65) NPBWR1DGAT1KCNH2SCN10ADYRK1A
SCHEMBL2107034 0.79 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SCN10ADYRK1A
SCHEMBL12020707 0.79 MAPT (0.76) NPBWR1DGAT1KCNH2SCN10ADYRK1A
SCHEMBL21500616 0.79 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SCN10ADYRK1A
SCHEMBL2711965 0.79 DGAT1 (0.61) NPBWR1DGAT1KCNH2SCN10ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US claimed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US claimed
EP-2742029-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS Merck Patent GmbH (DE) 2014-06-18 EP claimed
WO-2013020622-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2013-02-14 WO claimed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US claimed
CN-117126578-A Organosilicon polymer/POSS hybrid antifouling coating grafted with antibacterial molecules and preparation method thereof 中国科学院海洋研究所 2023-11-28 CN disclosed
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
EP-1653951-B1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (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-20090082404-A1 BENZIMIDAZOLES TIE1, KDR, FLT1 NPBWR1 2339/4885BACE1 3873/4885PLAU 1827/4885
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 NPBWR1 938/4885BACE1 3528/4885PLAU 911/4885
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis BRAF, RAF1, VEGFA NPBWR1 3534/4885BACE1 3212/4885PLAU 1963/4885

“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.