SCHEMBL955552

SCHEMBL955552

CCOC(=O)c1sc(-c2c(C)nn3ccccc23)nc1C1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.41
DBF4 Q9UBU7 8/20 0.41
LMNA P02545 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
DHODH Q02127 3/20 0.37
PTGER1 P34995 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
VCP P55072 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL957422 0.83 CDC7 (0.59) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL953769 0.80 CDC7 (0.59) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL953687 0.80 CDC7 (0.61) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL953629 0.80 CDC7 (0.50) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL953635 0.80 CDC7 (0.47) CDC7DBF4LMNAJAK2JAK3
SCHEMBL953710 0.79 CDC7 (0.51) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL954096 0.79 CDC7 (0.46) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL954275 0.79 CDC7 (0.46) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL952685 0.78 LMNA (0.46) CDC7DBF4LMNATRPM8ALDH1A1
SCHEMBL953767 0.78 TSHR (0.43) CDC7DBF4LMNATRPM8ALDH1A1

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 3288/4885LMNA 4454/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885LMNA 2019/4885

“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.