SCHEMBL3777376

SCHEMBL3777376

CN(C)CCCn1nc(C2=C(c3cn(Cc4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.75
PRKCA P17252 13/20 0.75
PRKCB P05771 12/20 0.75
PRKCG P05129 10/20 0.75
PRKCD Q05655 9/20 0.75
KCNH2 Q12809 5/20 0.75
PRKCZ Q05513 4/20 0.75
PRKACA P17612 3/20 0.55
PRKACG P22612 3/20 0.55
PRKACB P22694 3/20 0.55
PIM1 P11309 2/20 0.55
CHRM1 P11229 1/20 0.54
PRKCH P24723 3/20 0.53
PRKCQ Q04759 3/20 0.53
PRKCE Q02156 2/20 0.51
CCNB2 O95067 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CCNB3 Q8WWL7 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL13013272 0.86 GSK3B (1.00) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5754176 0.85 PRKCA (0.75) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5755677 0.84 PRKCA (0.80) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5756314 0.84 PRKCA (0.73) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5757698 0.83 PRKCA (0.73) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5752512 0.83 PRKCA (0.67) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3780989 0.83 PRKCA (0.72) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3775416 0.82 GSK3B (0.79) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5755061 0.82 PRKCA (0.67) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3784374 0.81 PRKCA (0.76) GSK3BPRKCAPRKCBPRKCGPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 US disclosed
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2004-12-23 US disclosed
EP-1362047-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-11-19 EP disclosed
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 US disclosed
WO-2002046183-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 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-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 GSK3B 601/4885PRKCA 43/4885PRKCB 40/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885PRKCA 53/4885PRKCB 51/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885PRKCA 53/4885PRKCB 51/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 GSK3B 601/4885PRKCA 43/4885PRKCB 40/4885

“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.