SCHEMBL3766535

SCHEMBL3766535

Cc1c(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc2n1-c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.64
PRKCB P05771 13/20 0.64
PRKCA P17252 13/20 0.64
PRKCG P05129 12/20 0.64
PRKCD Q05655 6/20 0.64
KCNH2 Q12809 6/20 0.64
PRKCZ Q05513 3/20 0.64
PRKCE Q02156 1/20 0.40
CAMK2D Q13557 1/20 0.38
IDH1 O75874 1/20 0.37
MAT2A P31153 3/20 0.37
PRMT5 O14744 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5754128 0.85 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL5757880 0.82 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL5758197 0.81 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL13013272 0.78 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL3771437 0.78 PRKCA (0.84) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL5757844 0.77 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL3784374 0.77 PRKCA (0.76) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL3771589 0.76 PRKCA (0.84) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL3779533 0.75 PRKCA (0.64) GSK3BPRKCBPRKCAPRKCGPRKCD
SCHEMBL5757325 0.75 GSK3B (0.83) GSK3BPRKCBPRKCAPRKCGPRKCD

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 9 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
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 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 (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 601/4885PRKCB 40/4885PRKCA 43/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885PRKCB 51/4885PRKCA 53/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885PRKCB 51/4885PRKCA 53/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 GSK3B 601/4885PRKCB 40/4885PRKCA 43/4885

“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.