SCHEMBL4851848

SCHEMBL4851848

O=C1C=CC(=O)N1c1nn(CCCN2CCOCC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP1 P09874 2/20 0.46
GSK3B P49841 6/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR7 P34969 2/20 0.45
ABCB1 P08183 2/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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 0.89 BCHE (0.43) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL4851450 0.87 GSK3B (0.44) KDM4EHSD17B10GSK3BPRKCGPRKCB
SCHEMBL30860211 0.81 CNR1 (0.47) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL10369201 0.78 HTR7 (0.47) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL4843346 0.78 MPO (0.42) KDM4EHSD17B10PARP1CNR2CNR1
SCHEMBL4849894 0.76 MEN1 (0.42) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL4850204 0.76 GSK3B (0.46) KDM4EGSK3BPRKCGPRKCBPRKCA
SCHEMBL4848849 0.76 RXRA (0.38) KDM4EHSD17B10PARP1KCNH2CNR2
SCHEMBL4852119 0.73 TOP2A (0.42) KDM4ESMN1; SMN2GSK3BPRKCGPRKCB
SCHEMBL10369871 0.71 CNR1 (0.50) KDM4EALDH1A1HSD17B10GAAPARP1

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 KDM4E 1504/4885ALDH1A1 3369/4885HSD17B10 2714/4885

“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.