SCHEMBL2283116

SCHEMBL2283116

CCC(C)c1nc(NCC2CCCO2)sc1-c1ccnc(Nc2cccc(O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.50
CDK4 P11802 5/20 0.50
CCNA2 P20248 6/20 0.47
CDK9 P50750 6/20 0.47
CCNT1 O60563 5/20 0.47
CDK1 P06493 4/20 0.47
CCNB1 P14635 4/20 0.47
CDK7 P50613 4/20 0.47
CCNH P51946 4/20 0.47
CCNA1 P78396 3/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TNK2 Q07912 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2284032 0.91 CDK2 (0.46) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2284122 0.91 KCNH3 (0.50) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2284194 0.90 CDK2 (0.46) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2282854 0.90 PAK4 (0.51) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL2286333 0.87 CDK2 (0.64) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2289014 0.85 LMNA (0.51) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2286341 0.84 AURKA (0.55) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2285408 0.82 LMNA (0.53) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2285956 0.81 CDK2 (0.41) CDK2CDK4CCNA2CDK9CCNT1
SCHEMBL2285441 0.80 MKNK2 (0.46) CDK2CDK9CDK1CDK7LMNA

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 776/4885CCNA2 2012/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CCNA2 1963/4885

“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.