SCHEMBL4850204

SCHEMBL4850204

CN(C)CCCn1nc(N2C(=O)C=CC2=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.46
PRKCA P17252 10/20 0.46
PRKCG P05129 9/20 0.46
PRKCB P05771 9/20 0.46
KCNH2 Q12809 6/20 0.44
ADRA1A P35348 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM2 P08172 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
SLC6A2 P23975 2/20 0.44
DRD3 P35462 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GUCY1B2 O75343 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A4 P31645 1/20 0.44
GUCY1A2 P33402 1/20 0.44

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
SCHEMBL4852119 0.92 TOP2A (0.42) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL4848849 0.82 RXRA (0.38) KCNH2ADRA1ACYP2D6CHRM2SLC6A2
SCHEMBL4843346 0.82 MPO (0.42) KDM4E
SCHEMBL4849894 0.80 MEN1 (0.42) KDM4ECHRM1
SCHEMBL4851450 0.79 GSK3B (0.44) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL4853486 0.79 BCHE (0.43) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL4851848 0.76 KDM4E (0.46) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL8013419 0.75 HRH3 (0.74) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL13502790 0.75 GSK3B (0.47) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL10369889 0.74 SLC6A4 (0.49) SLC6A2KDM4ESLC6A4HRH1POLB

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 4 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-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

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 601/4885PRKCA 43/4885PRKCG 120/4885

“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.