SCHEMBL1570146

SCHEMBL1570146

COC(=O)N1CCC(c2c[c]ccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
BRDT Q58F21 1/20 0.44
PDE4B Q07343 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NAMPT P43490 1/20 0.41
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
DGAT1 O75907 1/20 0.40
QDPR P09417 1/20 0.40

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
SCHEMBL693678 0.85 GPR119 (0.55) NAMPT
SCHEMBL31073550 0.84 KCNH2 (0.56) BRD4HSD11B1ALDH1A1L3MBTL1CYP3A4
SCHEMBL3312519 0.83 PDE4B (0.45) BRD4BRDTPDE4BPDE4APDE4C
SCHEMBL1570024 0.79 TLR9 (0.43) ALDH1A1KCNH2HRH3
SCHEMBL1570448 0.78 NAMPT (0.49) NAMPTMEN1KMT2A
SCHEMBL3318104 0.76 RBP4 (0.51) PDE4BPDE4APDE4CPDE4DHSD11B1
SCHEMBL16466082 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1KCNH2HRH3MEN1
SCHEMBL1443672 0.76 QDPR (0.46) QDPR
SCHEMBL7745919 0.76 FAAH (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL16799143 0.76 PDE4B (0.47) BRD4BRDTPDE4BPDE4APDE4C

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
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 CN disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 BRD4 248/4885BRDT 669/4885PDE4B 596/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRD4 241/4885BRDT 723/4885PDE4B 687/4885

“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.