SCHEMBL11973155

SCHEMBL11973155

CC1(C)CCc2sc(-c3ccncc3)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.57
DBF4 Q9UBU7 17/20 0.57
ROCK1 Q13464 12/20 0.48
CCNE1 P24864 10/20 0.42
CDK2 P24941 10/20 0.42
PRF1 P14222 1/20 0.36

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
SCHEMBL11973206 0.74 CDC7 (0.62) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL6804853 0.74 CDC7 (0.62) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL11973008 0.71 GRM5 (0.31)
SCHEMBL15605993 0.65 GRM5 (0.36) ROCK1
SCHEMBL614677 0.65 CDC7 (1.00) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL11973038 0.64 CDC7 (0.36) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL31684595 0.63 CDC7 (0.38) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL611741 0.62 CDC7 (0.66) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL12699016 0.62 CDC7 (0.34) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL7484888 0.61 ROCK2 (0.42) CDC7ROCK1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
EP-2627181-A2 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20150148334-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR CDC7 1355/4885DBF4 3209/4885ROCK1 201/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR CDC7 1355/4885DBF4 3209/4885ROCK1 201/4885

“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.