SCHEMBL953322

SCHEMBL953322

Cc1nn2ccccc2c1-c1nc(-c2ccsc2)c(C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.42
DBF4 Q9UBU7 6/20 0.42
PTGER1 P34995 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GPR35 Q9HC97 1/20 0.38
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL955322 0.91 CDC7 (0.42) CDC7DBF4PTGER1SMN1; SMN2KDM4E
SCHEMBL953113 0.89 CDC7 (0.50) CDC7DBF4SMN1; SMN2KDM4EGAA
SCHEMBL953710 0.88 CDC7 (0.51) CDC7DBF4KDM4EKMT2AALDH1A1
SCHEMBL955327 0.84 EGFR (0.46) CDC7DBF4PTGER1SMN1; SMN2KDM4E
SCHEMBL952850 0.84 SMN1; SMN2 (0.40) CDC7DBF4SMN1; SMN2KDM4EGAA
SCHEMBL955566 0.82 TRPM8 (0.43) CDC7DBF4PTGER1SMN1; SMN2ALDH1A1
SCHEMBL953870 0.81 SMN1; SMN2 (0.39) CDC7DBF4PTGER1SMN1; SMN2KDM4E
SCHEMBL952241 0.81 CDC7 (0.52) CDC7DBF4SMN1; SMN2GAARAB9A
SCHEMBL953589 0.80 CDC7 (0.43) CDC7DBF4SMN1; SMN2KDM4EGAA
SCHEMBL955904 0.80 CDC7 (0.40) CDC7DBF4SMN1; SMN2KDM4EGAA

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 3288/4885PTGER1 2680/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885PTGER1 267/4885

“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.