SCHEMBL3841371

SCHEMBL3841371

O=C(O)Cc1nc2cc(N3CCOCC3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PIK3CD O00329 3/20 0.45
PIK3CB P42338 3/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 2/20 0.43
PIK3CA P42336 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3840902 0.85 LMNA (0.52) PARP14ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3378287 0.84 AKT1 (0.61) PARP14PDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL20320868 0.79 TPH1 (0.45) PIK3CDPIK3CBALDH1A1L3MBTL1KDM4E
SCHEMBL20424755 0.78 TP53 (0.54) PIK3CDPIK3CBALDH1A1KDM4EMEN1
SCHEMBL12212362 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL8320097 0.78 HDAC1 (0.50) PIK3CDPIK3CBALDH1A1L3MBTL1KDM4E
SCHEMBL5515307 0.77 AURKA (0.45) PIK3CDPIK3CBCYP3A4
SCHEMBL3845055 0.77 PDGFRB (0.44) HTR2B
SCHEMBL3378290 0.76 AKT1 (0.62) PDE3BPDE3APIK3CDPIK3CBALDH1A1
SCHEMBL6784582 0.76 SIRT2 (0.43) PARP14PDE3BPDE3APIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313734-B1 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-11 EP disclosed
US-7368459-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 US disclosed
US-7138409-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2006-11-21 US disclosed
US-20050137188-A1 Heterocyclic compounds CHIRON CORPORATION 2005-06-23 US disclosed
US-6759417-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS; SUCH AS 7-AMINO-6-(1H-BENZIMIDAZOL-2-YL)-3,4-DIHYDRO-5H-IMIDAZO(4,5-B)PYRIDIN-5-ONE CHIRON CORPORATION 2004-07-06 US disclosed
US-6756383-B2 SUCH AS 3-(2-(METHOXYCARBONYL)ACETYLAMINO)PYRIDINE-4-CARBOXYLIC ACID FOR TREATMENT OF DISEASES CHARACTERIZED BY ACTIVITY OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASES; ENZYME INHIBITORS CHIRON CORPORATION 2004-06-29 US disclosed
US-20040002518-A1 Heterocyclic compounds CHIRON CORPORATION 2004-01-01 US disclosed
EP-1313734-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2003-05-28 EP disclosed
US-20020103230-A1 Heterocyclic compounds CHIRON CORPORATION 2002-08-01 US disclosed
WO-2002018383-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2002-03-07 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 (4 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-20020103230-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 PARP14 4267/4885PDE3B 1112/4885PDE3A 1026/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 PARP14 3929/4885PDE3B 1211/4885PDE3A 1342/4885
US-20050137188-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 PARP14 3929/4885PDE3B 1211/4885PDE3A 1342/4885
US-20040002518-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 PARP14 4267/4885PDE3B 1112/4885PDE3A 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.