SCHEMBL3774763

SCHEMBL3774763

CN(C)CCCn1nc(C2=C(c3cn(-c4cncnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 16/20 0.85
GSK3B P49841 15/20 0.85
PRKCB P05771 15/20 0.85
PRKCG P05129 13/20 0.85
PRKCD Q05655 8/20 0.85
KCNH2 Q12809 8/20 0.85
PRKCZ Q05513 4/20 0.85
KISS1R Q969F8 1/20 0.54
PRKACA P17612 3/20 0.52
PRKACG P22612 3/20 0.52
PRKACB P22694 3/20 0.52
PIM1 P11309 2/20 0.52
PRKCH P24723 2/20 0.49
PRKCQ Q04759 2/20 0.49
CAMK2D Q13557 1/20 0.48
MEN1 O00255 1/20 0.48
PRKD3 O94806 1/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
TP53 P04637 1/20 0.48

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 0.92 GSK3B (1.00) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5814373 0.91 PRKCA (1.00) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5756774 0.90 GSK3B (0.88) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5759260 0.87 GSK3B (0.81) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL1127687 0.86 GSK3B (0.64) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5758082 0.86 PRKCA (0.81) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL3774124 0.86 PRKCA (1.00) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5805666 0.86 PRKCA (0.81) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL13013368 0.86 GSK3B (0.88) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL3773332 0.85 PRKCA (1.00) PRKCAGSK3BPRKCBPRKCGPRKCD

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
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-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
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 PRKCA 43/4885GSK3B 601/4885PRKCB 40/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 PRKCA 53/4885GSK3B 587/4885PRKCB 51/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 PRKCA 53/4885GSK3B 587/4885PRKCB 51/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 PRKCA 43/4885GSK3B 601/4885PRKCB 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.