SCHEMBL6842941

SCHEMBL6842941

C=CCn1ccnc1-c1sc(-c2ccnc3c2CCC(=O)N3)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.31
DBF4 Q9UBU7 2/20 0.31
CCNT1 O60563 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL12918595 0.78 CDC7 (0.33) CDC7DBF4CCNT1CSNK2A2CCNE1
SCHEMBL955449 0.78 GSK3B (0.36) CDC7DBF4CCNT1CSNK2A2CCNE1
SCHEMBL953064 0.77 DPP4 (0.35) CDC7DBF4CCNT1CSNK2A2CCNE1
SCHEMBL954525 0.73 CDC7 (0.41) CDC7DBF4CCNT1CSNK2A2CCNE1
SCHEMBL16938046 0.72 CDC7 (0.36) CDC7DBF4CCNE1CDK2
SCHEMBL13257097 0.72 CDC7 (0.35) CDC7DBF4CCNT1CSNK2A2CCNE1
SCHEMBL13257095 0.70 CDC7 (0.40) CDC7DBF4CCNT1CSNK2A2CCNE1
SCHEMBL12947757 0.69 RAF1 (0.32)
SCHEMBL12918472 0.69 DPP4 (0.36) EGLN2
SCHEMBL953513 0.68 EGLN2 (0.35) EGLN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3288/4885CCNT1 982/4885

“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.