SCHEMBL1146745

SCHEMBL1146745

CC(=O)OCc1ccc(Cn2cnc3c(N)nc(I)nc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PNP P00491 3/20 0.44
HDAC6 Q9UBN7 7/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC4 P56524 4/20 0.43
CDK1 P06493 2/20 0.42
HDAC2 Q92769 4/20 0.41
YTHDC1 Q96MU7 2/20 0.41
ADORA2A P29274 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41

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
SCHEMBL1146640 0.83 PNP (0.40) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL1146545 0.80 YTHDC1 (0.53) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL5464136 0.74 TLR7 (0.47) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL19539671 0.71 YTHDC1 (0.63) HDAC6HDAC1HDAC4CDK1HDAC2
SCHEMBL2060294 0.71 ALDH1A1 (0.47) ADORA2A
SCHEMBL19539867 0.70 YTHDC1 (0.74) HDAC6HDAC1HDAC4HDAC2YTHDC1
SCHEMBL5161756 0.70 CDK1 (0.73) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL2060324 0.68 TLR7 (0.51) ADORA2A
SCHEMBL19539318 0.68 YTHDC1 (0.61) HDAC6HDAC1HDAC4HDAC2YTHDC1
SCHEMBL1146681 0.68 YTHDC1 (0.67) PDE4APDE4BPDE4CPDE4DHDAC6

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-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
CN-101679433-A Novel adenine compound DAINIPPON SUMITOMO PHARMA CO 2010-03-24 CN disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP 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-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 PDE4A 3469/4885PDE4B 3371/4885PDE4C 3465/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 PDE4A 3468/4885PDE4B 3334/4885PDE4C 3457/4885

“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.