SCHEMBL4853486

SCHEMBL4853486

O=C1C=CC(=O)N1c1nn(CCCN2CCCC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.43
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
GSK3B P49841 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR7 P34969 7/20 0.42
LMNA P02545 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL4851450 0.90 GSK3B (0.44) PRKCGPRKCBPRKCAGSK3BKCNH2
SCHEMBL4851848 0.89 KDM4E (0.46) CNR1CNR2PRKCGPRKCBPRKCA
SCHEMBL4843346 0.81 MPO (0.42) CNR1CNR2
SCHEMBL4849894 0.79 MEN1 (0.42)
SCHEMBL10831892 0.79 BCHE (0.45) BCHECNR1CNR2PRKCGPRKCB
SCHEMBL4850204 0.79 GSK3B (0.46) PRKCGPRKCBPRKCAGSK3BKCNH2
SCHEMBL4848849 0.79 RXRA (0.38) CNR1CNR2KCNH2
SCHEMBL10831053 0.78 BCHE (0.46) BCHECNR1CNR2PRKCGPRKCB
SCHEMBL10830928 0.78 BCHE (0.46) BCHECNR1CNR2PRKCGPRKCB
SCHEMBL10831465 0.78 BCHE (0.47) BCHECNR1CNR2HTR7

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 BCHE 3816/4885CNR1 3510/4885CNR2 3453/4885

“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.