SCHEMBL3777462

SCHEMBL3777462

CN(C)CC(O)Cn1nc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.53
CDK2 P24941 4/20 0.53
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
GSK3A P49840 2/20 0.53
MEN1 O00255 1/20 0.53
RGS12 O14924 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
CCNB2 O95067 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CDK1 P06493 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CCNB1 P14635 1/20 0.53

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
SCHEMBL5757611 0.92 GSK3B (0.59) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL3775971 0.89 GSK3B (0.61) GSK3BCDK2CDK4CCND1GSK3A
SCHEMBL5757844 0.81 GSK3B (0.67) GSK3BCDK2CDK4CCND1GSK3A
SCHEMBL5756702 0.80 GSK3B (0.71) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL3781580 0.79 GSK3B (0.66) GSK3BCDK2CDK4CCND1GSK3A
SCHEMBL27502732 0.79 MYLK (0.37) GSK3BCDK2CDK4CCND1GSK3A
SCHEMBL3775909 0.78 GSK3B (0.56) GSK3BCDK2CDK4CCND1GSK3A
SCHEMBL8163218 0.77 GSK3B (0.81) GSK3BCDK2CDK4CCND1GSK3A
SCHEMBL5758314 0.77 CAMK2D (0.62) GSK3BCDK2CDK4CCND1MEN1
SCHEMBL5752565 0.76 GSK3B (0.54) GSK3BCDK2CDK4CCND1GSK3A

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-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
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 601/4885CDK2 139/4885CDK4 386/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885CDK2 109/4885CDK4 372/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 GSK3B 587/4885CDK2 109/4885CDK4 372/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 GSK3B 601/4885CDK2 139/4885CDK4 386/4885

“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.