SCHEMBL953064

SCHEMBL953064

C=CCn1ccnc1-c1sc(Br)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
EGLN2 Q96KS0 1/20 0.34
CDC7 O00311 3/20 0.32
DBF4 Q9UBU7 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TNKS O95271 1/20 0.32
CRHR1 P34998 1/20 0.32
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
CCNT1 O60563 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CDK9 P50750 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HPGD P15428 2/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL12918472 0.81 DPP4 (0.36) DPP4EGLN2TNKSHPGDKCNH2
SCHEMBL13256657 0.81 DPP4 (0.33) DPP4EGLN2KCNH2KDM4EALDH1A1
SCHEMBL953513 0.80 EGLN2 (0.35) DPP4EGLN2TNKSHPGDKCNH2
SCHEMBL955195 0.79 ESR1 (0.36) DPP4EGLN2HPGDKCNH2KDM4E
SCHEMBL954465 0.78 PIK3CA (0.38) DPP4EGLN2HPGDKDM4EALDH1A1
SCHEMBL954525 0.77 CDC7 (0.41) CDC7DBF4CNR1CNR2CCNE1
SCHEMBL6842941 0.77 CDC7 (0.31) EGLN2CDC7DBF4CCNE1CDK2
SCHEMBL626411 0.75
SCHEMBL958018 0.74 NPC1 (0.33) DPP4EGLN2KCNH2NPC1RAB9A
SCHEMBL953026 0.73 HSD11B1 (0.32) DPP4EGLN2CRHR1KCNH2

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 DPP4 662/4885EGLN2 2393/4885CDC7 601/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 DPP4 3466/4885EGLN2 377/4885CDC7 1063/4885

“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.