SCHEMBL6474573

SCHEMBL6474573

Cc1nc2c(C)nc(Cl)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTT P42858 1/20 0.37
PARP1 P09874 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12592351 0.83 CSNK2A1 (0.38) CSNK2A1ADORA3HTTPARP1YTHDC1
SCHEMBL14347071 0.83 YTHDC1 (0.32) YTHDC1
Hydrochloric Acid SCHEMBL31329224 0.81 CSNK2A1 (0.37) CSNK2A1ADORA3HTTPARP1YTHDC1
SCHEMBL19633362 0.79 CDK1 (0.37) CSNK2A1ADORA3HTTPARP1YTHDC1
Hydrochloric Acid SCHEMBL22418855 0.78 ADORA3 (0.38) CSNK2A1ADORA3
SCHEMBL9797840 0.77 ADORA3 (0.41) CSNK2A1ADORA3HTTGAA
SCHEMBL7385720 0.74 PDK2 (0.34)
SCHEMBL5437633 0.74 LMNA (0.41) CSNK2A1ADORA3HTTYTHDC1GAA
SCHEMBL28281756 0.71 L3MBTL1 (0.37) CSNK2A1ADORA3GAA
SCHEMBL22224331 0.70 PDK2 (0.41) CSNK2A1ADORA3HTTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919455-B2 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2005-07-19 US disclosed
US-20040077665-A1 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-04-22 US disclosed
US-6660745-B1 Phosphodiesterase inhibitors; treatment of asthma, chronic obstructive pulmonary disease, inflammatory disorders MITSUBISHI CHEMICAL CORPORATION (JP) 2003-12-09 US disclosed
EP-1178046-B1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEM CORP (JP) 2003-11-19 EP disclosed
EP-1178046-A1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-06 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 (1 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-20040077665-A1 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof DPYD, NUDT1, PNP CSNK2A1 3743/4885ADORA3 89/4885HTT 4497/4885

“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.