SCHEMBL952001

SCHEMBL952001

CCOc1nc(-c2c(C)nn3ccccc23)sc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.37
DBF4 Q9UBU7 3/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.36
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MIF P14174 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL954881 0.91 SMN1; SMN2 (0.39) CDC7DBF4LMNAMAPTALDH1A1
SCHEMBL952685 0.90 LMNA (0.46) CDC7DBF4LMNAMAPTALDH1A1
SCHEMBL954065 0.89 PLK1 (0.41) CDC7DBF4CCNE1CDK2MAPT
SCHEMBL956509 0.88 CDC7 (0.35) CDC7DBF4CCNE1CDK2LMNA
SCHEMBL958143 0.82 LMNA (0.38) CDC7DBF4CCNE1CDK2LMNA
SCHEMBL955503 0.81 CDC7 (0.36) CDC7DBF4CCNE1CDK2MAPT
SCHEMBL951849 0.80 SMN1; SMN2 (0.40) PLK1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL955218 0.80 ALDH1A1 (0.40) CDC7DBF4CCNE1CDK2LMNA
SCHEMBL953497 0.80 CDC7 (0.39) CDC7DBF4CCNE1CDK2LMNA
SCHEMBL952241 0.80 CDC7 (0.52) CDC7DBF4CCNE1CDK2LMNA

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 6 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
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.