SCHEMBL110226

SCHEMBL110226

c1nc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
JAK2 O60674 1/20 0.47
NCF1 P14598 1/20 0.46
PARP1 P09874 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
DRD4 P21917 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
TMEM97 Q5BJF2 2/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CSF1R P07333 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
HPGD P15428 3/20 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
SCHEMBL29720511 0.89 DRD4 (0.55) HRH3JAK2NCF1PARP1MAPKAPK2
SCHEMBL2141792 0.83 TNIK (0.52) NCF1DRD4SIGMAR1TMEM97DRD3
SCHEMBL349005 0.79 MAPKAPK2 (0.56) HRH3JAK2PARP1MAPKAPK2MAPK1
SCHEMBL12633994 0.78 DRD4 (0.52) HRH3DRD4SIGMAR1TMEM97DRD3
Trifluoroacetic Acid SCHEMBL1878043 0.77 KCNJ1 (0.48) HRH3DRD4SIGMAR1SMN1; SMN2HTT
SCHEMBL3585287 0.76 HRH3 (0.47) HRH3JAK2NCF1PARP1SMN1; SMN2
SCHEMBL13373318 0.76 KDM4E (0.56) NPC1RAB9AALDH1A1KDM4EACHE
SCHEMBL8262963 0.75 FGFR1 (0.51) HRH3JAK2NCF1PARP1SMN1; SMN2
SCHEMBL23122757 0.75 PIK3CD (0.66) SMN1; SMN2HTTNPC1TP53RAB9A
SCHEMBL29745276 0.75 PIK3CD (0.66) SMN1; SMN2HTTNPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 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 (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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 HRH3 1749/4885JAK2 3469/4885NCF1 922/4885
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 HRH3 579/4885JAK2 371/4885NCF1 1315/4885

“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.