SCHEMBL3351252

SCHEMBL3351252

NCc1ccc(-c2n[nH]c3ncccc23)s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 16/20 0.49
CYP2C19 P33261 14/20 0.49
CYP2E1 P05181 13/20 0.49
CYP2B6 P20813 13/20 0.49
CYP2C9 P11712 12/20 0.49
CYP3A4 P08684 11/20 0.49
CYP2D6 P10635 11/20 0.49
CYP1A2 P05177 10/20 0.41
CYP2C8 P10632 7/20 0.41
LTA4H P09960 1/20 0.39
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LOX P28300 1/20 0.35
MAP3K5 Q99683 1/20 0.35
AKT1 P31749 1/20 0.33

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
SCHEMBL3351246 0.76 HDAC1 (0.40) CYP2A6CYP2C19CYP2C9CYP3A4AKT1
SCHEMBL4376704 0.75 MAP3K5 (0.59) CYP2A6CYP2C19CYP2E1CYP2B6CYP2C9
SCHEMBL3101270 0.74 PRMT5 (0.51)
Hydrochloric Acid SCHEMBL16872479 0.72 PRMT5 (0.50)
SCHEMBL17970714 0.72 CYP2A6 (0.37) CYP2A6CYP2C19CYP2E1CYP2B6CYP2C9
SCHEMBL6698000 0.70 CYP2A6 (0.56) CYP2A6CYP2C19CYP2E1CYP2B6CYP2C9
SCHEMBL17922026 0.70 LRRK2 (0.41) CYP2A6
SCHEMBL1513056 0.69 ALDH1A1 (0.55)
SCHEMBL30931548 0.69 ALDH1A1 (0.55)
SCHEMBL22044055 0.69 NPC1 (0.53) AKT1

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 4663/4885CYP2C19 4374/4885CYP2E1 4427/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 CYP2A6 4576/4885CYP2C19 3922/4885CYP2E1 4318/4885

“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.