SCHEMBL5447191

SCHEMBL5447191

Clc1nc(NC2CCCCCC2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.76
ADORA3 P0DMS8 8/20 0.61
ADORA1 P30542 7/20 0.61
ADORA2A P29274 6/20 0.61
ADORA2B P29275 3/20 0.61
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL2945927 1.00 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16549238 0.99 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17902888 0.98 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2943022 0.97 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2709647 0.97 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2709651 0.97 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2946809 0.93 YTHDC1 (0.72) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17262855 0.91 YTHDC1 (0.72) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3712640 0.89 YTHDC1 (0.66) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1713275 0.86 YTHDC1 (0.79) YTHDC1ADORA3ADORA1ADORA2AADORA2B

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-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives BAENTELI ROLF 2007-10-25 US claimed
EP-1734968-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES Novartis AG (CH) 2006-12-27 EP claimed
WO-2005097135-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES NOVARTIS AG (CH) 2005-10-20 WO claimed
US-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives BAENTELI ROLF 2007-10-25 US disclosed
EP-1734968-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES Novartis AG (CH) 2006-12-27 EP disclosed
WO-2005097135-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES NOVARTIS AG (CH) 2005-10-20 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 (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-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives HPRT1, NUDT1, DPYD YTHDC1 1252/4885ADORA3 96/4885ADORA1 112/4885

“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.