SCHEMBL3351246

SCHEMBL3351246

NC(=O)c1ccc(-c2n[nH]c3ncccc23)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
AKT1 P31749 1/20 0.40
IKBKB O14920 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
CHUK O15111 1/20 0.39
LIMK1 P53667 1/20 0.39
CAMKK2 Q96RR4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PIM1 P11309 2/20 0.37
CHEK1 O14757 1/20 0.37
MKNK1 Q9BUB5 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
SCHEMBL22044055 0.82 NPC1 (0.53) HDAC1AKT1HDAC3HDAC4HDAC7
SCHEMBL4376699 0.76 AKT1 (0.63) AKT1CAMKK2PIM1CYP3A4TGFBR1
SCHEMBL3351252 0.76 CYP2A6 (0.49) AKT1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL22044547 0.73 ATM (0.43) DYRK1ADYRK1B
SCHEMBL29732854 0.72 CAMKK2 (0.46) IKBKBCHUKLIMK1CAMKK2KDM4E
SCHEMBL1384475 0.72 CAMKK2 (0.46) IKBKBCHUKLIMK1CAMKK2KDM4E
SCHEMBL5924470 0.71 CCNC (0.50) CAMKK2PIM1
SCHEMBL5539335 0.70 CAMKK2 (0.48) IKBKBCHUKCAMKK2PIM1
SCHEMBL359879 0.69 KDM4E (0.73) HDAC1IKBKBHDAC3HDAC4HDAC7
SCHEMBL6338427 0.69 CAMKK2 (0.43) IKBKBCHUKLIMK1CAMKK2KDM4E

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 HDAC1 319/4885AKT1 318/4885IKBKB 1112/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 HDAC1 342/4885AKT1 314/4885IKBKB 1026/4885

“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.