SCHEMBL3015079

SCHEMBL3015079

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
TET3 O43151 4/20 0.42
FBXL19 Q6PCT2 4/20 0.42
CXXC5 Q7LFL8 4/20 0.42
KDM2B Q8NHM5 4/20 0.42
CXXC4 Q9H2H0 4/20 0.42
KDM2A Q9Y2K7 4/20 0.42
TET1 Q8NFU7 3/20 0.42
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
EPHX2 P34913 1/20 0.38
MDM2 Q00987 1/20 0.38
CXCR3 P49682 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.36
AKR1C1 Q04828 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36

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
SCHEMBL119410 0.92 KMT2A (0.49) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL30089214 0.89 KMT2A (0.42) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL22960725 0.89 KMT2A (0.42) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL4870754 0.89 TET3 (0.50) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL4630456 0.87 OPRD1 (0.36) KMT2AFABP5FABP7MDM2CXCR3
SCHEMBL3015083 0.86 MEN1 (0.43) KMT2AFABP5FABP7MEN1RAB9A
SCHEMBL3030476 0.85 HSD11B1 (0.38) KMT2AFABP5FABP7EPHX2MDM2
SCHEMBL3032315 0.85 HSD11B1 (0.47) KMT2AFABP5FABP7EPHX2MDM2
SCHEMBL7813068 0.84 KMT2A (0.42) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL4630450 0.83 SMN1; SMN2 (0.37) KMT2AEPHX2MDM2CXCR3RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 KMT2A 26/4885TET3 1657/4885FBXL19 1487/4885

“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.