SCHEMBL3349924

SCHEMBL3349924

NCc1ccc(-c2c[nH]c3nccnc23)s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 13/20 0.48
▸ CYP2B6 P20813 12/20 0.48
▸ CYP2C19 P33261 12/20 0.48
▸ CYP2E1 P05181 12/20 0.48
▸ CYP3A4 P08684 11/20 0.48
▸ CYP1A2 P05177 10/20 0.48
▸ CYP2C9 P11712 10/20 0.48
▸ CYP2D6 P10635 9/20 0.48
▸ CYP2C8 P10632 7/20 0.48
▸ MAP3K5 Q99683 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ AKT1 P31749 2/20 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
SCHEMBL4376704 0.81 MAP3K5 (0.59) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL3349917 0.74 AKT1 (0.44) MAP3K5MAPK1AKT1
SCHEMBL3347541 0.72 CLK1 (0.42) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL3353473 0.71 SGK1 (0.44) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL29574366 0.68 LTA4H (0.68) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL6698000 0.66 CYP2A6 (0.56) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL23781572 0.66 CYP2A6 (0.97) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL23789558 0.66 CYP2A6 (0.66) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
Iodide SCHEMBL29574376 0.66 LTA4H (0.65) CYP2A6CYP2B6CYP2C19CYP2E1CYP3A4
SCHEMBL30208793 0.65 MAPK1 (0.51) MAPK1

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 CYP2A6 4663/4885CYP2B6 4702/4885CYP2C19 4374/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 CYP2A6 4576/4885CYP2B6 4593/4885CYP2C19 3922/4885

“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.

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