SCHEMBL182328

SCHEMBL182328

CN(C)CCN(C)C(=O)c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
DRD2 P14416 1/20 0.41
PDK1 Q15118 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
MCHR1 Q99705 1/20 0.39
MLYCD O95822 1/20 0.38
ESRRG P62508 1/20 0.38
PDE7A Q13946 1/20 0.38
PARP1 P09874 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PIK3CA P42336 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
SCHEMBL1448074 0.85 HDAC4 (0.45) HDAC4DRD2MCHR1MLYCDESRRG
SCHEMBL2901805 0.82 ALDH1A1 (0.51) MLYCDALDH1A1
SCHEMBL6598473 0.81 KMT2A (0.51) HDAC4PDK1MLYCDPARP1HDAC1
SCHEMBL2902770 0.81 HDAC4 (0.42) HDAC4MLYCDHDAC1HDAC6ALDH1A1
SCHEMBL4329490 0.81 NAMPT (0.48) HDAC4DRD2MCHR1MLYCDESRRG
SCHEMBL18227658 0.81 NAMPT (0.48) HDAC4DRD2MLYCDATR
SCHEMBL4354040 0.80 HDAC4 (0.41) HDAC4DRD2PDK1HRH4MCHR1
SCHEMBL28034990 0.80 ALDH1A1 (0.38) HDAC4DRD2MCHR1MLYCDESRRG
SCHEMBL11622026 0.80 HDAC6 (0.46) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL12237841 0.79 CDK4 (0.50) HDAC4DRD2PDK1MCHR1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 US disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA HDAC4 1377/4885DRD2 3865/4885PDK1 137/4885
US-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 HDAC4 1692/4885DRD2 2227/4885PDK1 3541/4885

“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.