SCHEMBL3780989

SCHEMBL3780989

CN(C)CCCn1cc(C2=C(c3nn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 11/20 0.72
PRKCB P05771 10/20 0.72
GSK3B P49841 9/20 0.72
PRKCG P05129 7/20 0.72
PRKCD Q05655 6/20 0.72
KCNH2 Q12809 4/20 0.72
PRKCZ Q05513 3/20 0.72
PRKACA P17612 3/20 0.62
PRKACG P22612 3/20 0.62
PRKACB P22694 3/20 0.62
PIM1 P11309 2/20 0.62
PRKCH P24723 3/20 0.59
PRKCQ Q04759 3/20 0.59
PRKCE Q02156 3/20 0.57
CCNB2 O95067 3/20 0.57
CDK1 P06493 3/20 0.57
CCNB1 P14635 3/20 0.57
CCNB3 Q8WWL7 3/20 0.57
MEN1 O00255 1/20 0.57
PRKD3 O94806 1/20 0.57

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 0.84 GSK3B (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3777376 0.83 GSK3B (0.75) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5757880 0.79 PRKCA (0.85) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5756314 0.78 PRKCA (0.73) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL13013368 0.78 GSK3B (0.88) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5754176 0.78 PRKCA (0.75) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL7057981 0.77 PRKCA (1.00) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5754128 0.77 PRKCA (0.85) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5755241 0.77 PRKCA (0.71) PRKCAPRKCBGSK3BPRKCGPRKCD
Hydrochloric Acid SCHEMBL8154146 0.77 PRKCA (0.98) PRKCAPRKCBGSK3BPRKCGPRKCD

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

“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.