SCHEMBL952934

SCHEMBL952934

O=C(O)c1sc(Br)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.50
DBF4 Q9UBU7 3/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
CCNT1 O60563 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CDK9 P50750 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
DHODH Q02127 1/20 0.46
ALPL P05186 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
SRD5A2 P31213 1/20 0.42

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
SCHEMBL13257644 0.84 CDC7 (0.49) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL953096 0.81 CDC7 (0.49) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL12918592 0.80 CDC7 (0.44) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL954885 0.80 CDC7 (0.69) CDC7DBF4CCNE1CDK2DHODH
SCHEMBL931009 0.80 ALDH1A1 (0.54) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29488763 0.80 ALDH1A1 (0.54) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14705597 0.78 KDM4E (0.53) CDC7DBF4DHODHKDM4ESMN1; SMN2
SCHEMBL954137 0.78 HPGD (0.53) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL5034224 0.75 CNR1 (0.57) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL6740040 0.75 ALPL (0.44) CDC7DBF4CCNE1CDK2CCNT1

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 15 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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 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-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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
US-20110003806-A1 Heteroaryls and uses thereof 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
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.