SCHEMBL4376699

SCHEMBL4376699

NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.63
CAMKK2 Q96RR4 2/20 0.59
MAP3K5 Q99683 1/20 0.54
PDPK1 O15530 6/20 0.48
CDK2 P24941 2/20 0.48
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CCNA1 P78396 1/20 0.48
CDK5R1 Q15078 1/20 0.48
NEK2 P51955 1/20 0.46
PLK1 P53350 1/20 0.46
ROCK1 Q13464 2/20 0.46
CYP3A4 P08684 1/20 0.46
CDC7 O00311 3/20 0.45
TGFBR1 P36897 2/20 0.45
DAPK3 O43293 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL4479178 0.88 AKT1 (0.64) AKT1CAMKK2MAP3K5PDPK1CDK2
SCHEMBL13887692 0.83 AKT1 (0.59) AKT1CAMKK2MAP3K5PDPK1CDK2
SCHEMBL3349917 0.82 AKT1 (0.44) AKT1CAMKK2MAP3K5PDPK1CDK2
SCHEMBL22044129 0.82 AKT1 (0.66) AKT1CAMKK2MAP3K5PDPK1ROCK1
SCHEMBL4492515 0.81 AKT1 (0.57) AKT1CAMKK2MAP3K5PDPK1CDK2
SCHEMBL3355198 0.80 AKT1 (0.53) AKT1CAMKK2MAP3K5PDPK1CDK2
SCHEMBL30649183 0.80 AKT1 (0.61) AKT1CDK9CDK5ROCK1DAPK3
SCHEMBL10125059 0.80 AKT1 (0.61) AKT1CDK9CDK5ROCK1DAPK3
SCHEMBL13887780 0.80 AKT1 (0.67) AKT1CAMKK2MAP3K5PDPK1CDK2
SCHEMBL13888053 0.79 MAP3K5 (0.56) AKT1CAMKK2MAP3K5PDPK1CDK2

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 5 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
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP 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 (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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 AKT1 318/4885CAMKK2 327/4885MAP3K5 81/4885

“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.