SCHEMBL5479891

SCHEMBL5479891

COc1ccc(CNc2nc(Oc3cccc(C)c3)nc3c2ncn3C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.67
▸ CDK1 P06493 5/20 0.66
▸ CCNE1 P24864 8/20 0.60
▸ CDK2 P24941 8/20 0.60
▸ CCNE2 O96020 6/20 0.60
▸ CCNB1 P14635 3/20 0.60
▸ CCNB2 O95067 2/20 0.60
▸ CCNB3 Q8WWL7 2/20 0.60
▸ CDK5 Q00535 8/20 0.60
▸ CDK5R1 Q15078 8/20 0.60
▸ CCNT1 O60563 1/20 0.58
▸ PDE5A O76074 1/20 0.58
▸ CCNA2 P20248 1/20 0.58
▸ CDK7 P50613 1/20 0.58
▸ CDK9 P50750 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ PDE10A Q9Y233 1/20 0.58

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
SCHEMBL14431263 0.93 CDK1 (0.57) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL5466080 0.89 TDP1 (0.74) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL5472943 0.84 TDP1 (0.68) TDP1CDK1CCNE1CDK2CCNE2
Myoseverin SCHEMBL29376276 0.81 TDP1 (1.00) TDP1CDK1CCNE1CDK2CCNE2
Myoseverin SCHEMBL13325947 0.81 TDP1 (1.00) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL1443236 0.79 TDP1 (0.80) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL5470136 0.78 TDP1 (0.76) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL5466380 0.77 TDP1 (0.70) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL5478736 0.77 TDP1 (0.70) TDP1CDK1CCNE1CDK2CCNE2
SCHEMBL5466725 0.77 CDK5 (0.81) TDP1CDK1CCNE1CDK2CCNE2

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 9 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-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 — — US disclosed
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
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 — — 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 1399/4885CDK1 117/4885CCNE1 508/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 TDP1 1399/4885CDK1 117/4885CCNE1 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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