SCHEMBL2285606

SCHEMBL2285606

CC(=O)Nc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.67
CDK4 P11802 9/20 0.67
PIK3CA P42336 1/20 0.63
JAK2 O60674 2/20 0.61
JAK3 P52333 2/20 0.61
CCNA2 P20248 4/20 0.60
PLK1 P53350 2/20 0.60
CDK9 P50750 7/20 0.60
CDK7 P50613 6/20 0.60
CDK1 P06493 5/20 0.60
AURKA O14965 4/20 0.60
AURKB Q96GD4 4/20 0.60
PIK3CG P48736 1/20 0.57
WEE1 P30291 2/20 0.56
ALK Q9UM73 2/20 0.56
CCNT1 O60563 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL6363136 0.90 CDK2 (0.76) CDK2CDK4JAK2JAK3CCNA2
SCHEMBL2283623 0.88 CDK2 (0.77) CDK2CDK4PIK3CACCNA2PLK1
SCHEMBL1890923 0.87 PIK3CG (0.60) CDK2CDK4PIK3CACCNA2PLK1
SCHEMBL5782606 0.87 PIK3CA (0.64) CDK2CDK4PIK3CAJAK2JAK3
SCHEMBL2283576 0.86 CDK2 (0.59) CDK2CDK4PIK3CAJAK2JAK3
SCHEMBL1893280 0.84 CDK2 (0.57) CDK2CDK4PIK3CACCNA2PLK1
SCHEMBL2283520 0.84 CDK2 (0.79) CDK2CDK4CCNA2CDK9CDK7
SCHEMBL2288186 0.84 CDK2 (0.59) CDK2CDK4PIK3CAJAK2JAK3
SCHEMBL2290008 0.83 CDK2 (0.55) CDK2CDK4JAK2JAK3CCNA2
SCHEMBL1886169 0.82 PIK3CG (0.56) PIK3CAPIK3CGMEN1KMT2APOLB

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 2065/4885CDK4 776/4885PIK3CA 3293/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885PIK3CA 3359/4885

“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.