SCHEMBL2355183

SCHEMBL2355183

COCC(C)Nc1nc2c(s1)-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.69
CCNT1 O60563 17/20 0.69
CDK9 P50750 17/20 0.69
CDK1 P06493 13/20 0.69
CCNB1 P14635 13/20 0.69
CDK7 P50613 12/20 0.69
CCNH P51946 12/20 0.69
CCNE1 P24864 11/20 0.69
CDK4 P11802 10/20 0.69
CCND1 P24385 8/20 0.69
CCNA2 P20248 5/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCNA1 P78396 3/20 0.51
CCNE2 O96020 1/20 0.44

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
SCHEMBL2285893 0.90 CDK2 (0.71) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2289225 0.87 CDK2 (0.67) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2354910 0.87 IGF1R (0.53) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2354899 0.86 CDK2 (0.63) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2286073 0.85 CDK2 (0.53) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2282896 0.85 CDK2 (0.51) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2281811 0.85 CDK2 (0.49) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2357383 0.84 CDK2 (0.77) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531457 0.82 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2356635 0.81 CDK2 (0.53) CDK2CCNT1CDK9CDK1CCNB1

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 513/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CDK9 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.