SCHEMBL6842891

SCHEMBL6842891

O=c1ccc2c(-c3nc(-c4ccc(Cl)cc4Cl)c(-c4ncc[nH]4)s3)ccnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.38
DBF4 Q9UBU7 3/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
GSK3B P49841 2/20 0.37
ROCK1 Q13464 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL16938044 0.92 CDC7 (0.38) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL12947667 0.91 ROCK1 (0.37) ROCK1RHEBPDE3BPDE3ANUDT1
SCHEMBL6842884 0.88 ROCK1 (0.47) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL16938045 0.79 ROCK1 (0.44) CDC7DBF4CCNE1CDK2CDK9
SCHEMBL955449 0.77 GSK3B (0.36) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL6842852 0.75 CDC7 (0.43) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL6842885 0.74 CDC7 (0.42) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL954402 0.73 CDC7 (0.43) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL6842828 0.73 MAPK14 (0.43) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL6842842 0.73 GSK3B (0.47) CDC7DBF4CCNE1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CDC7 601/4885DBF4 3288/4885CCNE1 1329/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885CCNE1 64/4885

“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.