SCHEMBL954096

SCHEMBL954096

CCOC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.46
DBF4 Q9UBU7 8/20 0.46
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 3/20 0.40
RAB9A P51151 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL951780 0.89 HIF1A (0.39) HPGDKDM4ESMN1; SMN2ALDH1A1HIF1A
SCHEMBL953635 0.88 CDC7 (0.47) CDC7DBF4HPGDKDM4ESMN1; SMN2
SCHEMBL953687 0.88 CDC7 (0.61) CDC7DBF4HPGDKDM4EALDH1A1
SCHEMBL954019 0.88 HTT (0.39) CDC7DBF4HPGDKDM4ESMN1; SMN2
SCHEMBL954275 0.86 CDC7 (0.46) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL957422 0.85 CDC7 (0.59) CDC7DBF4HPGDALDH1A1HSD17B10
SCHEMBL953629 0.84 CDC7 (0.50) CDC7DBF4HPGDKDM4EALDH1A1
SCHEMBL957443 0.83 TSHR (0.39) HPGDKDM4ESMN1; SMN2ALDH1A1HIF1A
SCHEMBL953769 0.82 CDC7 (0.59) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL953710 0.81 CDC7 (0.51) CDC7DBF4HPGDKDM4EALDH1A1

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 3288/4885HPGD 2756/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885HPGD 539/4885

“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.