SCHEMBL1995348

SCHEMBL1995348

CN(C)CCCn1nc(CC(N)=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
PRKCG P05129 6/20 0.43
PRKCB P05771 6/20 0.43
PRKCA P17252 6/20 0.43
GSK3B P49841 6/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 3/20 0.41

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
SCHEMBL1991988 0.96 TOP2A (0.45) ADRA1AHRH3HRH1ADRA1BPRKCG
SCHEMBL13013370 0.88 ADRA1A (0.43) ADRA1AHRH3HRH1ADRA1BPRKCG
SCHEMBL13013360 0.84 HTR3A (0.45) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL1992765 0.83 RECQL (0.56) ADRA1AHRH3HRH1ADRA1BPRKCG
SCHEMBL1993828 0.80 RECQL (0.55) ADRA1AHRH3KDM4ECYP2D6KCNH2
SCHEMBL13013352 0.77 CNR1 (0.43) KDM4ETSHRHSD17B10CNR1CNR2
SCHEMBL2588997 0.77 KDM4E (0.46) KDM4ETSHRPOLBICMT
SCHEMBL1994502 0.74 ROCK2 (0.44) ADRA1AHRH1ADRA1BKDM4ECNR1
SCHEMBL13502790 0.74 GSK3B (0.47) ADRA1AHRH3HRH1ADRA1BPRKCG
SCHEMBL8086295 0.73 ICMT (0.71) PRKCACNR2ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS ZHANG HAN-CHENG 2009-07-16 US disclosed
US-7524858-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-7524858-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
US-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 US disclosed
US-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 US disclosed
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 US disclosed
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 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-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 ADRA1A 4273/4885HRH3 3527/4885HRH1 2923/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO ADRA1A 272/4885HRH3 620/4885HRH1 384/4885
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS PRKDC, PRKACA, MAP3K20 ADRA1A 4708/4885HRH3 3663/4885HRH1 3289/4885

“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.