SCHEMBL4376704

SCHEMBL4376704

NCc1ccc(-c2c[nH]c3ncccc23)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.59
AKT1 P31749 2/20 0.54
PDPK1 O15530 7/20 0.50
CYP2E1 P05181 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2A6 P11509 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2B6 P20813 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C8 P10632 3/20 0.47
CDK2 P24941 2/20 0.47
CDK9 P50750 2/20 0.47
CDK5 Q00535 2/20 0.47
TGFBR1 P36897 2/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CCNA1 P78396 1/20 0.47
CDK5R1 Q15078 1/20 0.47

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
SCHEMBL13888053 0.81 MAP3K5 (0.56) MAP3K5AKT1PDPK1CYP2E1CYP3A4
SCHEMBL3349924 0.81 CYP2A6 (0.48) MAP3K5AKT1CYP2E1CYP3A4CYP2D6
SCHEMBL858166 0.80 MAP3K5 (0.54) MAP3K5AKT1PDPK1CDK2CDK9
SCHEMBL12281270 0.80 PDPK1 (0.48) MAP3K5AKT1PDPK1CYP3A4CDK2
SCHEMBL3347541 0.77 CLK1 (0.42) MAP3K5PDPK1CYP2E1CYP3A4CYP2D6
SCHEMBL3348407 0.77 JAK2 (0.52) MAP3K5CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL4382849 0.76 AKT1 (0.55) AKT1PDPK1CYP3A4CDK2CDK9
SCHEMBL4376699 0.76 AKT1 (0.63) MAP3K5AKT1PDPK1CYP3A4CDK2
SCHEMBL3353473 0.76 SGK1 (0.44) MAP3K5AKT1PDPK1CYP2E1CYP3A4
SCHEMBL3351252 0.75 CYP2A6 (0.49) MAP3K5AKT1CYP2E1CYP3A4CYP2D6

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-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-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 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
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010065384-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US 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 (3 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-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 MAP3K5 68/4885AKT1 178/4885PDPK1 2/4885
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 MAP3K5 81/4885AKT1 318/4885PDPK1 6/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 MAP3K5 91/4885AKT1 314/4885PDPK1 5/4885

“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.