SCHEMBL4849894

SCHEMBL4849894

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK1 Q13464 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
GLS O94925 1/20 0.38
ATM Q13315 1/20 0.38
PARP1 P09874 1/20 0.36
TDO2 P48775 1/20 0.36
MGLL Q99685 2/20 0.36
TLR9 Q9NR96 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL4843346 0.90 MPO (0.42) HSD17B10KDM4ETSHRGLSPARP1
SCHEMBL4852119 0.82 TOP2A (0.42) ROCK1KDM4EGLSMGLLCHRM1
SCHEMBL4850204 0.80 GSK3B (0.46) KDM4ECHRM1
SCHEMBL4848849 0.80 RXRA (0.38) HSD17B10KDM4ETSHRGLSPARP1
SCHEMBL4853486 0.79 BCHE (0.43)
SCHEMBL4851450 0.77 GSK3B (0.44) HSD17B10KDM4EMAPT
SCHEMBL4851848 0.76 KDM4E (0.46) HSD17B10KDM4EPARP1ALDH1A1HPGD
SCHEMBL17045395 0.71 SCN9A (0.46) MEN1KMT2AHSD17B10KDM4ETSHR
SCHEMBL20195799 0.71 GLS (0.70) MEN1KMT2AHSD17B10KDM4ETSHR
SCHEMBL5438502 0.71 TSHR (0.54) MEN1KMT2AROCK1HSD17B10KDM4E

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 MEN1 2768/4885KMT2A 1602/4885ROCK1 507/4885

“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.