SCHEMBL1146545

SCHEMBL1146545

Nc1nc(I)nc2c1ncn2Cc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CDK1 P06493 2/20 0.49
ADORA2A P29274 3/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC4 P56524 1/20 0.44
PDE8A O60658 2/20 0.44
PNP P00491 3/20 0.44
HDAC2 Q92769 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 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
SCHEMBL1146681 0.86 YTHDC1 (0.67) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL12857135 0.84 YTHDC1 (0.57) YTHDC1CDK1HDAC6HDAC1HDAC4
SCHEMBL1146745 0.80 PDE4A (0.44) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL12857150 0.78 HDAC6 (0.70) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL1146658 0.77 ADORA2A (0.54) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL18584237 0.76 TMIGD3 (0.59) YTHDC1CDK1ADORA2AHDAC6HDAC1
SCHEMBL24208062 0.75 TMIGD3 (0.58) YTHDC1CDK1ADORA2AHDAC6HDAC1
SCHEMBL3021041 0.75 PNP (0.77) PNPALDH1A1CYP3A4HIF1A
SCHEMBL13596787 0.74 PDE8A (0.62) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL5161756 0.74 CDK1 (0.73) PDE4APDE4BPDE4CPDE4DCDK1

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 8 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-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
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 YTHDC1 1481/4885PDE4A 3469/4885PDE4B 3371/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 YTHDC1 1400/4885PDE4A 3468/4885PDE4B 3334/4885

“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.