SCHEMBL7514036

SCHEMBL7514036

CCCCc1cnc(/C=C/c2cnc(NC(=O)Nc3ccc(C(=O)N(C)C)cc3)s2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
OGA O60502 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL7514043 1.00 CDK2 (0.38) CDK2CDK7CDK9OGAMAPT
SCHEMBL7510815 0.88 MEN1 (0.39) CDK2CDK7CDK9MAPTMEN1
SCHEMBL5726720 0.83 CDK2 (0.53) CDK2CDK7CDK9OGAMAPT
SCHEMBL5726709 0.83 CDK2 (0.53) CDK2CDK7CDK9OGAMAPT
SCHEMBL7501865 0.80 CCNE1 (0.45) CDK2MAPTMEN1KMT2APOLB
SCHEMBL7507848 0.78 CDK2 (0.45) CDK2MAPTMEN1KMT2APOLB
SCHEMBL7508017 0.77 L3MBTL1 (0.47) MAPTSMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL7508813 0.76 CCNE1 (0.59) CDK2CDK7CDK9SMN1; SMN2ALDH1A1
SCHEMBL7504005 0.76 CCNE1 (0.59) CDK2CDK7CDK9SMN1; SMN2ALDH1A1
SCHEMBL7504922 0.75 FDPS (0.33) CDK2CDK7CDK9SMN1; SMN2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases RAWLINS DAVID B (US) 2002-11-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases CCNK, CDK2, CCNL2 CDK2 2/4885CDK7 32/4885CDK9 24/4885

“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.