SCHEMBL2356729

SCHEMBL2356729

c1ccc(Nc2ncc3c(n2)-c2sc(NCC4CCCO4)nc2CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.56
CCNT1 O60563 8/20 0.56
CDK1 P06493 8/20 0.56
CCNB1 P14635 8/20 0.56
CCNE1 P24864 8/20 0.56
CDK9 P50750 8/20 0.56
CDK7 P50613 7/20 0.56
CCNH P51946 7/20 0.56
CDK4 P11802 7/20 0.56
CCND1 P24385 7/20 0.56
KCNH3 Q9ULD8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CCNA2 P20248 1/20 0.47
TNK2 Q07912 3/20 0.45

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
SCHEMBL2356680 0.91 KCNH3 (0.54) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2281856 0.91 CCNT1 (0.58) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2289888 0.90 CCNT1 (0.60) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2357973 0.90 CCNT1 (0.47) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2354958 0.88 PAK4 (0.53) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2278859 0.88 CDK2 (0.47) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2286461 0.88 CCNT1 (0.45) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2357588 0.87 CDK2 (0.62) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2281532 0.86 CDK2 (0.51) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2285998 0.86 CCNT1 (0.46) CDK2CCNT1CDK1CCNB1CCNE1

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 CDK2 2065/4885CCNT1 513/4885CDK1 793/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CDK1 857/4885

“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.