SCHEMBL2954384

SCHEMBL2954384

O=C1NC(=O)C(c2nn(CCCO)c3ccccc23)=C1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.56
CAMK2D Q13557 2/20 0.55
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
PRKCB P05771 11/20 0.53
PRKCA P17252 11/20 0.53
PRKCG P05129 10/20 0.53
IDH1 O75874 1/20 0.48
PRKCD Q05655 5/20 0.48
KISS1R Q969F8 1/20 0.48
KCNH2 Q12809 5/20 0.47
PRKCZ Q05513 2/20 0.47
PRKCE Q02156 1/20 0.45

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
SCHEMBL4677138 0.82 GSK3B (0.59) GSK3BCAMK2DPRKCBPRKCAPRKCG
SCHEMBL3784374 0.78 PRKCA (0.76) GSK3BCAMK2DTSHRPRKCBPRKCA
SCHEMBL5757131 0.78 GSK3B (0.65) GSK3BCAMK2DPRKCBPRKCAPRKCG
SCHEMBL3779590 0.77 GSK3B (0.79) GSK3BCAMK2DPRKCBPRKCAPRKCG
SCHEMBL3781580 0.77 GSK3B (0.66) GSK3BPRKCBPRKCAPRKCG
SCHEMBL3774788 0.76 GSK3B (0.80) GSK3BCAMK2DPRKCBPRKCAPRKCG
SCHEMBL4339857 0.76 GSK3B (0.55) GSK3BCAMK2DPRKCBPRKCAPRKCG
SCHEMBL5759900 0.76 GSK3B (0.80) GSK3BCAMK2DPRKCBPRKCAPRKCG
SCHEMBL13166904 0.75 CAMK2D (0.78) GSK3BCAMK2DPRKCBPRKCAIDH1
SCHEMBL6984319 0.74 GSK3B (0.78) GSK3BCAMK2DPRKCBPRKCAPRKCG

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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
EP-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
EP-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
EP-1513520-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2004-03-18 US disclosed
WO-2003103663-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 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 (4 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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS PRKDC, MAP2K2, TTK GSK3B 880/4885CAMK2D 66/4885HSD17B10 2869/4885
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK GSK3B 880/4885CAMK2D 66/4885HSD17B10 2869/4885
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK GSK3B 880/4885CAMK2D 66/4885HSD17B10 2869/4885
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK GSK3B 880/4885CAMK2D 66/4885HSD17B10 2869/4885

“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.