SCHEMBL3353473

SCHEMBL3353473

NCc1ccc(-c2c[nH]c3ncc(CO)cc23)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.44
MAP3K11 Q16584 2/20 0.41
CYP1A2 P05177 6/20 0.40
CYP2E1 P05181 6/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2A6 P11509 6/20 0.40
CYP2B6 P20813 6/20 0.40
CYP2C19 P33261 6/20 0.40
CYP2C9 P11712 5/20 0.40
MAP3K5 Q99683 1/20 0.39
DYRK1A Q13627 4/20 0.39
CLK1 P49759 3/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
PDPK1 O15530 2/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C8 P10632 4/20 0.38
CDK8 P49336 2/20 0.37
AXL P30530 1/20 0.37
TNIK Q9UKE5 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
SCHEMBL3347541 0.82 CLK1 (0.42) SGK1MAP3K11CYP1A2CYP2E1CYP2D6
SCHEMBL3348407 0.82 JAK2 (0.52) SGK1MAP3K11CYP1A2CYP2E1CYP2D6
SCHEMBL3353465 0.81 MAP3K11 (0.47) MAP3K11MAP3K5DYRK1ACLK1DYRK2
SCHEMBL4376704 0.76 MAP3K5 (0.59) CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6
SCHEMBL3349924 0.71 CYP2A6 (0.48) CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6
SCHEMBL13332909 0.67 BRD4 (0.43) SGK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL4831027 0.65 AXL (0.41) SGK1DYRK1ACLK1CDK8AXL
SCHEMBL4827241 0.64 DYRK1A (0.42) SGK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL13342578 0.64 KMT2A (0.47) CYP2A6DYRK1ACLK1DYRK2DYRK1B
SCHEMBL3347533 0.63 MAP3K11 (0.46) MAP3K11DYRK1ACLK1DYRK2DYRK1B

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-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
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 SGK1 146/4885MAP3K11 139/4885CYP1A2 4714/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 SGK1 147/4885MAP3K11 95/4885CYP1A2 4561/4885

“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.