SCHEMBL2285998

SCHEMBL2285998

CS(=O)(=O)Nc1cccc(Nc2ncc3c(n2)-c2sc(NCC4CCCO4)nc2CC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.46
CDK2 P24941 13/20 0.46
CDK9 P50750 13/20 0.46
CDK1 P06493 12/20 0.46
CCNB1 P14635 12/20 0.46
CCNE1 P24864 12/20 0.46
CDK7 P50613 11/20 0.46
CCNH P51946 11/20 0.46
CDK4 P11802 10/20 0.46
CCND1 P24385 10/20 0.46
ROS1 P08922 1/20 0.43
ALK Q9UM73 1/20 0.43
CCNA2 P20248 1/20 0.41
TNK2 Q07912 2/20 0.40
KCNH3 Q9ULD8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2286461 0.92 CCNT1 (0.45) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2286659 0.88 CDK2 (0.48) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2357973 0.87 CCNT1 (0.47) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2289888 0.87 CCNT1 (0.60) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2281532 0.87 CDK2 (0.51) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2356729 0.86 CDK2 (0.56) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2354958 0.86 PAK4 (0.53) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2357588 0.86 CDK2 (0.62) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2357752 0.83 TNK2 (0.47) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2281856 0.82 CCNT1 (0.58) CCNT1CDK2CDK9CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 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 (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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CCNT1 513/4885CDK2 2065/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CCNT1 528/4885CDK2 2144/4885CDK9 3311/4885

“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.