SCHEMBL5466709

SCHEMBL5466709

COc1ccc(CNc2nc(Nc3ccccc3C)nc3c2ncn3C(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.78
▸ CCNE2 O96020 8/20 0.69
▸ CCNE1 P24864 8/20 0.69
▸ CDK2 P24941 8/20 0.69
▸ CDK1 P06493 3/20 0.67
▸ CDK5 Q00535 6/20 0.67
▸ CDK5R1 Q15078 6/20 0.67
▸ KDM4E B2RXH2 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ CCNB2 O95067 1/20 0.61
▸ CCNB1 P14635 1/20 0.61
▸ CCNB3 Q8WWL7 1/20 0.61

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
SCHEMBL5621459 0.90 TDP1 (0.76) TDP1CCNE2CCNE1CDK2CDK1
Myoseverin SCHEMBL13325947 0.88 TDP1 (1.00) TDP1CCNE2CCNE1CDK2CDK1
Myoseverin SCHEMBL29376276 0.88 TDP1 (1.00) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL5461238 0.87 TDP1 (0.86) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL5470136 0.86 TDP1 (0.76) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL13359693 0.83 TDP1 (0.90) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL5472943 0.83 TDP1 (0.68) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL14587794 0.83 TDP1 (0.78) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL14587742 0.81 TDP1 (0.67) TDP1CCNE2CCNE1CDK2CDK1
SCHEMBL1443236 0.80 TDP1 (0.80) TDP1CCNE2CCNE1CDK2CDK1

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-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 — — US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 — — US disclosed
EP-1578722-A2 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2005-09-28 — — EP disclosed
US-20030191312-A1 Kinase inhibitor scaffolds and methods for their preparation IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2003-10-09 — — US disclosed
WO-2003031406-A2 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2003-04-17 — — 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 (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-20030191312-A1 Kinase inhibitor scaffolds and methods for their preparation MAP2K2, MAP2K1, MAP2K7 TDP1 1399/4885CCNE2 762/4885CCNE1 508/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 TDP1 1399/4885CCNE2 762/4885CCNE1 508/4885

“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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