SCHEMBL2281114

SCHEMBL2281114

CCC(C)c1nc(N)sc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.58
CDK4 P11802 7/20 0.58
MAPT P10636 2/20 0.54
CAMK2D Q13557 3/20 0.53
ABL1 P00519 2/20 0.49
CCNT1 O60563 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNA2 P20248 2/20 0.49
CCND1 P24385 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK7 P50613 2/20 0.49
CDK9 P50750 2/20 0.49
CCNH P51946 2/20 0.49
MNAT1 P51948 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
AURKA O14965 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49

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
SCHEMBL2287329 0.89 CDK2 (0.70) CDK2CDK4MAPTCAMK2DABL1
SCHEMBL2283141 0.88 CDK2 (0.58) CDK2CDK4MAPTCAMK2DABL1
SCHEMBL2288855 0.88 CDK2 (0.53) CDK2CDK4CAMK2DABL1CCNT1
SCHEMBL2282886 0.87 GSK3B (0.58) CDK2CDK4MAPTCAMK2DABL1
SCHEMBL2289668 0.85 CDK2 (0.49) CDK2CDK4CAMK2DABL1CCNT1
SCHEMBL2287260 0.83 CDK2 (0.52) CDK2CDK4MAPTCAMK2DABL1
SCHEMBL4800928 0.82 CDK2 (0.79) CDK2CDK4CAMK2DABL1CCNT1
SCHEMBL2285132 0.82 CDK2 (0.51) CDK2CDK4MAPTCAMK2DABL1
SCHEMBL2286391 0.81 CDK2 (0.49) CDK2CDK4MAPTCAMK2DABL1
SCHEMBL2280972 0.80 CDK2 (0.58) CDK2CDK4CDK1CCNE1CDK7

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 3 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
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN 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 2065/4885CDK4 776/4885MAPT 2565/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885MAPT 2586/4885

“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.