SCHEMBL3353429

SCHEMBL3353429

NC(=O)C1CCCc2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 9/20 0.44
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.40
SIRT3 Q9NTG7 2/20 0.39
RECQL P46063 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL12501601 0.88 CAMK2A (0.48) SIRT1KMT2ALMNASIRT2SIRT3
SCHEMBL17362115 0.88 CAMK2A (0.48) SIRT1KMT2ALMNASIRT2SIRT3
SCHEMBL1061933 0.81 SIRT1 (0.54) SIRT1KMT2ASIRT2SIRT3ACHE
SCHEMBL22652430 0.81 KMT2A (0.41) KMT2ALMNAHTR2AHTR2CHTR2B
SCHEMBL29228467 0.78 ACHE (0.40) KMT2ALMNACAMK2AHTR2AHTR2C
SCHEMBL3714922 0.78 MTNR1B (0.52) ACHE
SCHEMBL17361500 0.78 SRD5A1 (0.43) SIRT1CAMK2AHTR2AHTR2C
SCHEMBL12501482 0.78 SRD5A1 (0.43) SIRT1CAMK2AHTR2AHTR2C
SCHEMBL12501609 0.78 SRD5A1 (0.43) SIRT1CAMK2AHTR2AHTR2C
SCHEMBL3812210 0.77 IDO1 (0.50) SIRT1KMT2ASIRT2MEN1

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 SIRT1 269/4885KMT2A 1050/4885LMNA 2375/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 SIRT1 248/4885KMT2A 1202/4885LMNA 3293/4885

“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.