SCHEMBL4010541

SCHEMBL4010541

CNC(=O)c1cc(C)cc(CCc2cc(N)[nH]n2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
BRD4 O60885 1/20 0.34
GAA P10253 2/20 0.34
DHODH Q02127 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLK1 P53350 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SLC7A5 Q01650 2/20 0.32
WDR5 P61964 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL4010043 0.84 FGFR1 (0.47) CCNCCDK8GAAFGFR1FGFR2
SCHEMBL62859 0.82 DHODH (0.48) CCNCCDK8BRD4DHODHSLC7A5
SCHEMBL14288603 0.73 PLK1 (0.59) CCNCCDK8BRD4GAAALDH1A1
SCHEMBL23471209 0.72 PLK1 (0.42) CCNCCDK8BRD4GAAALDH1A1
SCHEMBL3926722 0.71 PLK1 (0.44) CCNCCDK8BRD4GAAALDH1A1
SCHEMBL10174741 0.70 PLK1 (0.56) CCNCCDK8BRD4GAAALDH1A1
SCHEMBL3931554 0.69 SLC7A5 (0.40) GAAALDH1A1MAPTTDP1PLK1
SCHEMBL4010143 0.69 FOLH1 (0.46) DHODH
SCHEMBL3929387 0.68 FGFR1 (0.40) BRD4FGFR1FGFR2ALDH1A1MAPT
SCHEMBL15492141 0.67 HDAC8 (0.52) GAAALDH1A1PLK1POLB

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 CCNC 2182/4885CDK8 1921/4885BRD4 2662/4885

“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.