SCHEMBL4843346

SCHEMBL4843346

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
PARP1 P09874 1/20 0.39
CNR2 P34972 6/20 0.36
CNR1 P21554 5/20 0.36
GLS O94925 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL4849894 0.90 MEN1 (0.42) HSD17B10KDM4ETSHRPARP1GLS
SCHEMBL4848849 0.82 RXRA (0.38) HSD17B10KDM4ETSHRPARP1CNR2
SCHEMBL4850204 0.82 GSK3B (0.46) KDM4E
SCHEMBL4853486 0.81 BCHE (0.43) CNR2CNR1
SCHEMBL4851450 0.79 GSK3B (0.44) MPOHSD17B10KDM4E
SCHEMBL4852119 0.78 TOP2A (0.42) KDM4ECNR2GLS
SCHEMBL4851848 0.78 KDM4E (0.46) HSD17B10KDM4EPARP1CNR2CNR1
SCHEMBL15897852 0.69 TSHR (0.52) HSD17B10KDM4ETSHRPARP1CNR2
SCHEMBL17324753 0.68 CNR1 (0.48) MPOHSD17B10KDM4ETSHRPARP1
SCHEMBL31591483 0.68 ALDH1A1 (0.45) MPOHSD17B10KDM4ETSHRPARP1

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 MPO 4594/4885HSD17B10 2714/4885KDM4E 1504/4885

“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.