SCHEMBL1632059

SCHEMBL1632059

CC(=O)c1cc(N2CCOCC2)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.44
PIK3C2B O00750 6/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.41
ALOX15 P16050 1/20 0.40
BRD4 O60885 1/20 0.40
FLT3 P36888 1/20 0.40
ATM Q13315 1/20 0.39
PTGES O14684 1/20 0.39
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
JAK2 O60674 1/20 0.37

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
SCHEMBL27921643 0.89 KDM4E (0.51) PIK3C2BKDM4EHPGDPIK3CDPIK3R1
SCHEMBL1688037 0.88 ALDH1A1 (0.44) PIK3C2BMAPTKDM4EHPGDPIK3CD
SCHEMBL20578257 0.74 PIK3C2B (0.43) PIK3C2BMAPTKDM4EPIK3CDPIK3R1
SCHEMBL1282185 0.73 ALDH1A1 (0.43) MAPTKDM4EPIK3CDPIK3CBALDH1A1
SCHEMBL28805891 0.73 GNRHR (0.37) PIK3C2BMAPTKDM4EHPGDPIK3CD
SCHEMBL27903775 0.73 DHODH (0.54) PIK3C2BPIK3CDPIK3R1PIK3CB
SCHEMBL27903777 0.72 PIK3R2 (0.40) PRKDCPIK3C2BPIK3CDPIK3R1PIK3CB
SCHEMBL27921732 0.71 PIK3C2B (0.46) PIK3C2BMAPTKDM4EPIK3CDPIK3R1
SCHEMBL1632944 0.71 ALDH1A1 (0.47) MAPTKDM4EPIK3CDPIK3CBALDH1A1
SCHEMBL1633300 0.70 PIK3CB (0.45) PIK3C2BMAPTKDM4EPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872860-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2018-01-23 US disclosed
US-20170112844-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2017-04-27 US disclosed
US-9156797-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-10-13 US disclosed
US-20150246889-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2015-09-03 US disclosed
US-9062003-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-20140378456-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2014-12-25 US disclosed
US-8865912-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-10-21 US disclosed
US-20140142321-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-05-22 US disclosed
US-8674090-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-03-18 US disclosed
US-20140018534-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-16 US disclosed
US-8541411-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-09-24 US disclosed
US-20130196990-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC 2013-08-01 US disclosed
US-20130197221-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-01 US disclosed
US-8435988-B2 Benzimidazole derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-05-07 US disclosed
US-20120088767-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-04-12 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 (8 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-20170112844-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 92/4885PIK3C2B 13/4885MAPT 3380/4885
US-20140018534-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 91/4885PIK3C2B 13/4885MAPT 3347/4885
US-20140378456-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 92/4885PIK3C2B 13/4885MAPT 3380/4885
US-20140142321-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 92/4885PIK3C2B 13/4885MAPT 3380/4885
US-20120088767-A1 BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KB, PI4KA, PIK3CD PRKDC 103/4885PIK3C2B 13/4885MAPT 3376/4885
US-20130196990-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 92/4885PIK3C2B 13/4885MAPT 3380/4885
US-20150246889-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 92/4885PIK3C2B 13/4885MAPT 3380/4885
US-20130197221-A1 Benzimidazole Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CD, PI4KA PRKDC 92/4885PIK3C2B 13/4885MAPT 3380/4885

“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.