SCHEMBL3774167

SCHEMBL3774167

O=C1NC(=O)C(c2nn(CCCO)c3ccccc23)=C1c1cn(-c2cnc3ccccc3c2)c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.81
PRKCG P05129 12/20 0.81
PRKCB P05771 12/20 0.81
PRKCA P17252 12/20 0.81
KCNH2 Q12809 7/20 0.81
PRKCD Q05655 6/20 0.81
PRKCZ Q05513 3/20 0.81
KISS1R Q969F8 1/20 0.52
IDH1 O75874 1/20 0.49
CAMK2D Q13557 1/20 0.46

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
SCHEMBL5757856 0.90 GSK3B (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5754534 0.88 GSK3B (0.76) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5757333 0.88 GSK3B (0.85) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3774788 0.88 GSK3B (0.80) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5756379 0.87 GSK3B (0.81) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5760645 0.86 GSK3B (0.71) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5757178 0.85 GSK3B (0.79) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3779590 0.84 GSK3B (0.79) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL6069263 0.83 GSK3B (0.61) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5755363 0.83 GSK3B (0.77) GSK3BPRKCGPRKCBPRKCAKCNH2

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 601/4885PRKCG 120/4885PRKCB 40/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885PRKCG 163/4885PRKCB 51/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885PRKCG 163/4885PRKCB 51/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 GSK3B 601/4885PRKCG 120/4885PRKCB 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.