SCHEMBL953156

SCHEMBL953156

O=C(O)c1sc(-c2cnn3ccccc23)nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.52
DBF4 Q9UBU7 5/20 0.52
CAMKK1 Q8N5S9 2/20 0.44
CAMKK2 Q96RR4 2/20 0.44
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DYRK1A Q13627 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PLK1 P53350 1/20 0.37
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PIK3CB P42338 1/20 0.36
ACVR1 Q04771 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL952214 0.91 CDC7 (0.54) CDC7DBF4CAMKK1CAMKK2CCNE1
SCHEMBL955394 0.85 CDC7 (0.59) CDC7DBF4RARARARBRARG
SCHEMBL953113 0.76 CDC7 (0.50) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL974859 0.75 CDC7 (0.84) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL31734323 0.74 ACHE (0.49) CAMKK1CAMKK2DYRK1AKDM4EALDH1A1
SCHEMBL953057 0.73 ACVR1 (0.37) CDC7DBF4CAMKK1CAMKK2CCNE1
SCHEMBL16937947 0.72 DYRK1A (0.35) CDC7DBF4CAMKK1CAMKK2CDK2
SCHEMBL18160954 0.72 CAMKK1 (0.50) CAMKK1CAMKK2DYRK1AACVR1MEN1
SCHEMBL12379349 0.72 CAMKK1 (0.42) CAMKK1CAMKK2CCNE1CDK2SMN1; SMN2
SCHEMBL15716975 0.71 CDC7 (0.59) CDC7DBF4CCNE1CDK2SMN1; SMN2

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 3288/4885CAMKK1 1870/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885CAMKK1 1602/4885

“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.