SCHEMBL4851450

SCHEMBL4851450

CN1CCN(CCCn2nc(N3C(=O)C=CC3=O)c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCG P05129 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR7 P34969 2/20 0.44
ABCB1 P08183 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MPO P05164 1/20 0.41
KAT2B Q92831 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR6 P50406 1/20 0.40
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4853486 0.90 BCHE (0.43) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4851848 0.87 KDM4E (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL10830936 0.80 GSK3B (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4850204 0.79 GSK3B (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4848849 0.79 RXRA (0.38) KCNH2KDM4EHSD17B10DRD2HTR2A
SCHEMBL4843346 0.79 MPO (0.42) KDM4EHSD17B10MPO
SCHEMBL30860314 0.78 GLS (0.57) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL10831278 0.77 HTR7 (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL10831536 0.77 HTR7 (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL10831272 0.77 HTR7 (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 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 (1 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-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.