SCHEMBL4241864

SCHEMBL4241864

Cc1nc2ccc(C=O)cc2n1CCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
CYP2A6 P11509 2/20 0.40
BRD4 O60885 2/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
POLB P06746 1/20 0.39
TOP2A P11388 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC2 Q92769 3/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CNR2 P34972 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
SCHEMBL18732123 0.79 PKM (0.46) PKMPOLBEP300CREBBPTERT
SCHEMBL4248945 0.76 KDM4E (0.50) CYP2A6HDAC1POLBALDH1A1MAPT
SCHEMBL15139648 0.75 PKM (0.70) PKMPOLBTOP2AALDH1A1HTT
SCHEMBL18731433 0.73 TLR8 (0.51) PKMALDH1A1MAPTHTTCYP1A2
SCHEMBL7513237 0.73 BRD4 (0.43) BRD4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL22860189 0.73 KMT2A (0.49) PKMPOLBCNR2CYP1A2TSHR
SCHEMBL4238059 0.72 POLB (0.38) PKMHDAC1HDAC8HDAC6POLB
SCHEMBL4238064 0.72 POLB (0.38) PKMHDAC1HDAC8HDAC6POLB
SCHEMBL6170548 0.72 GALR3 (0.48) ALDH1A1MAPTHTTTSHR
SCHEMBL18732125 0.71 ALDH1A1 (0.45) PKMALDH1A1MAPTHTTCYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 PKM 3210/4885CYP2A6 4715/4885BRD4 1126/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA PKM 539/4885CYP2A6 2730/4885BRD4 1324/4885

“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.