SCHEMBL11983508

SCHEMBL11983508

Cc1ccc(=O)n(CCCN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.56
HRH1 P35367 1/20 0.51
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
KDR P35968 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SRC P12931 1/20 0.42

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
SCHEMBL7677139 0.81 HRH3 (0.45) MAPK14HRH3KDRDRD2DRD3
SCHEMBL4280574 0.79 KDR (0.43) MAPK14ALDH1A1HRH3KDRDRD2
SCHEMBL842924 0.78 KDR (0.49) MAPK14HRH1KDM4EALDH1A1HRH3
SCHEMBL8276881 0.77 HRH1 (0.45) MAPK14HRH1KDM4EALDH1A1POLB
SCHEMBL11929544 0.76 KDM4E (0.56) MAPK14KDM4EALDH1A1POLBMAPT
SCHEMBL19959641 0.75 POLB (0.47) KDM4EALDH1A1POLBMAPTL3MBTL1
SCHEMBL29161600 0.75 KDM4E (0.50) MAPK14HRH1KDM4EALDH1A1POLB
SCHEMBL4275314 0.74 HRH3 (0.54) KDM4EALDH1A1MAPTHRH3
SCHEMBL17943767 0.73 KDM4E (0.49) MAPK14KDM4EALDH1A1POLBMAPT
SCHEMBL25997009 0.73 KDR (0.50) HRH1HRH3KDRDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 MAPK14 1899/4885HRH1 412/4885KDM4E 448/4885

“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.