SCHEMBL953055

SCHEMBL953055

CC(=O)Nc1cc(-c2nc(-c3ccccc3)c(C(N)=O)s2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.61
DBF4 Q9UBU7 5/20 0.61
CCNE1 P24864 1/20 0.61
CDK2 P24941 1/20 0.61
GSK3B P49841 9/20 0.55
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
MAPK14 Q16539 4/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL954260 0.91 CDC7 (0.60) CDC7DBF4CCNE1CDK2GSK3B
SCHEMBL955820 0.84 CDC7 (0.55) CDC7DBF4CCNE1CDK2KDM4E
SCHEMBL957562 0.84 CDC7 (0.71) CDC7DBF4GSK3BKDM4EALDH1A1
SCHEMBL952766 0.82 KDM4E (0.51) CDC7DBF4GSK3BKDM4EALDH1A1
SCHEMBL954078 0.80 CDC7 (0.68) CDC7DBF4CCNE1CDK2GSK3B
SCHEMBL952077 0.79 GSK3B (0.63) CDC7DBF4CCNE1CDK2GSK3B
SCHEMBL956050 0.79 CDC7 (0.49) CDC7DBF4GSK3BKDM4EALDH1A1
SCHEMBL12947669 0.79 CDC7 (0.45) CDC7DBF4GSK3BKDM4EALDH1A1
SCHEMBL952377 0.78 MAPK14 (0.48) KDM4EALDH1A1MAPTMAPK14
SCHEMBL4740819 0.78 CDC7 (0.85) CDC7DBF4CCNE1CDK2KDM4E

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-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP 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
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-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.