SCHEMBL5440560

SCHEMBL5440560

COc1ccc(C(c2ccc(OC)cc2)n2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.43
▸ CCNE2 O96020 3/20 0.43
▸ CCNE1 P24864 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP19A1 P11511 3/20 0.41
▸ CDK1 P06493 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ CCNA2 P20248 4/20 0.38
▸ CCNA1 P78396 4/20 0.38
▸ CDK5 Q00535 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ PDE8A O60658 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ YTHDC1 Q96MU7 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL5443910 0.82 CDK2 (0.47) CDK2CCNE2CCNE1TDP1CDK1
SCHEMBL5443909 0.81 CDK2 (0.39) CDK2CCNE2CCNE1TDP1CYP19A1
SCHEMBL30677327 0.77 XDH (0.54) CDK2CCNE2CCNE1HSP90AA1HSP90AB1
SCHEMBL3821565 0.75 YTHDC1 (0.57) CDK2CCNE2CCNE1HSP90AA1HSP90AB1
SCHEMBL29426182 0.74 CDK2 (0.56) CDK2CCNE1TDP1CDK1CCNA2
SCHEMBL539356 0.74 CDK2 (0.56) CDK2CCNE1TDP1CDK1CCNA2
SCHEMBL2848856 0.72 CCNA2 (0.41) CDK2CDK1CCNA2CCNA1CDK5
SCHEMBL2315389 0.72 CDK5 (0.47) CDK2TDP1CDK1CCNA2CCNA1
SCHEMBL29601246 0.72 P2RX7 (0.57) CDK2CCNE2CCNE1HSP90AA1HSP90AB1
SCHEMBL5161254 0.72 CCNE2 (0.52) CDK2CCNE2CCNE1HSP90AA1HSP90AB1

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 CDK2 146/4885CCNE2 574/4885CCNE1 758/4885

“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.

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