SCHEMBL1820140

SCHEMBL1820140

CCc1ccn[c]c1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PLD1 Q13393 2/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
HTR2B P41595 2/20 0.38
HRH4 Q9H3N8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRB1 P08588 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL1856410 0.82 ADRB1 (0.43) HTR1APLD1ADRB2NCF1KDM4E
SCHEMBL15415201 0.77 PLD1 (0.38) PLD1ADRB2NCF1KDM4EALDH1A1
SCHEMBL4231547 0.77 HTR2C (0.39) HTR2CHTR2AHTR1ADRD2DRD4
SCHEMBL15415308 0.76 HTR6 (0.37) PLD1ADRB2NCF1KDM4EALDH1A1
SCHEMBL15416098 0.76 ADRB1 (0.44) HTR2CHTR2AHTR1ADRD2DRD3
SCHEMBL18398017 0.73 HTR2C (0.51) HTR2CHTR2AHTR1ADRD2DRD4
SCHEMBL4738517 0.70 ADRA1A (0.36) PLD1ADRB2NCF1HRH4KDM4E
SCHEMBL28078181 0.69 HTR1A (0.73) HTR2CHTR2AHTR1ADRD2DRD4
SCHEMBL335802 0.69 HTR1A (0.73) HTR2CHTR2AHTR1ADRD2DRD4
SCHEMBL31561598 0.69 HTR1A (0.73) HTR2CHTR2AHTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP claimed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP claimed
JP-4688876-B2 2011-05-25 JP claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US claimed
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors IRM LLC (BM) 2008-10-16 US claimed
EP-1899329-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC A Delware Limited Liability Company (BM) 2008-03-19 EP claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP claimed
WO-2007005673-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-01-11 WO claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO claimed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO disclosed
US-8426404-B2 e.g. 3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-N-[4-(2-methyl-imidazol-1-yl)-3-trifluoromethyl-phenyl]-benzamide; receptor and non-receptor tyrosine kinases and serine/threonine kinases inhibitor; antiproliferative agent; immune and nervous system disorders NOVARTIS AG (CH) 2013-04-23 US disclosed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP disclosed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed
EP-1899329-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC A Delware Limited Liability Company (BM) 2008-03-19 EP disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US disclosed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP disclosed
WO-2007005673-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-01-11 WO disclosed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 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-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors BMX, FYN, BRSK2 HTR2C 2516/4885HTR2A 3348/4885HTR1A 3991/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC HTR2C 4170/4885HTR2A 4337/4885HTR1A 4713/4885

“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.