SCHEMBL3575792

SCHEMBL3575792

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(OCCCN3CCC(F)C3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.40
HRH1 P35367 8/20 0.40
HRH3 Q9Y5N1 3/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 3/20 0.36
DRD1 P21728 3/20 0.36
OPRM1 P35372 3/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 1/20 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
SCHEMBL3575794 0.94 HRH2 (0.39) HRH2HRH1HRH3PRKAB2PRKAG1
SCHEMBL3571532 0.89 KDM4E (0.48) HRH3KDM4EALDH1A1
SCHEMBL3572021 0.86 LTA4H (0.48) HRH3KDM4EALDH1A1
SCHEMBL3582374 0.85 LTA4H (0.47) HRH3KDM4EALDH1A1
SCHEMBL5999899 0.84 DRD2 (0.42) HRH2HRH1HRH3PRKAB2PRKAG1
SCHEMBL5999900 0.84 DRD2 (0.42) HRH2HRH1HRH3PRKAB2PRKAG1
SCHEMBL4987834 0.83 HRH3 (0.43) HRH2HRH1HRH3PRKAB2PRKAG1
SCHEMBL4987828 0.83 HRH3 (0.43) HRH2HRH1HRH3PRKAB2PRKAG1
SCHEMBL3571538 0.82 KDM4E (0.47) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL4703843 0.81 CHEK2 (0.47) HRH2HRH1

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-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HRH2 3115/4885HRH1 3237/4885HRH3 2899/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 HRH2 3954/4885HRH1 3534/4885HRH3 3666/4885

“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.