SCHEMBL3349305

SCHEMBL3349305

CC(C)(C)OC(=O)c1cccc2[nH]nc(I)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
GABRA1 P14867 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37
GABRA6 Q16445 3/20 0.37
GABRA4 P48169 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
ADRA1A P35348 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
SCHEMBL19208648 0.84 KDM4E (0.48) ALDH1A1LMNAPDPK1KDM4ESTAT3
SCHEMBL25337284 0.83 GAA (0.45) ARPDPK1
SCHEMBL7832087 0.83 AR (0.40) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL3948268 0.73 PARP1 (0.44) ALDH1A1LMNAPARP1
SCHEMBL2418352 0.71 GABRP (0.39) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL30522258 0.71 GABRA1 (0.53) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL3918274 0.70 NR4A2 (0.56) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL30076914 0.69 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL109178 0.69 TSHR (0.50) ALDH1A1LMNAADRA1AADRA1BMAPK1
SCHEMBL30111657 0.69 TSHR (0.50) ALDH1A1LMNAADRA1AADRA1BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
CN-101541783-A Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS (US) 2009-09-23 CN disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 AR 2963/4885GABRA1 4056/4885GABRG2 3530/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 AR 2444/4885GABRA1 4249/4885GABRG2 3959/4885

“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.