SCHEMBL4010043

SCHEMBL4010043

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.47
FGFR2 P21802 3/20 0.47
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLK1 P53350 2/20 0.38
ALPL P05186 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL4010541 0.84 CCNC (0.40) FGFR1FGFR2ALDH1A1MAPTPLK1
SCHEMBL63547 0.82 CYP19A1 (0.51) FGFR1FGFR2ALDH1A1FGFR3CYP19A1
SCHEMBL3929387 0.80 FGFR1 (0.40) FGFR1FGFR2HSD17B1HSD17B2ALDH1A1
SCHEMBL62859 0.80 DHODH (0.48) MEN1KMT2AAURKBPARP1CCNC
SCHEMBL14288600 0.76 PLK1 (0.54) FGFR1FGFR2HSD17B1HSD17B2ALDH1A1
SCHEMBL23060197 0.74 CYP19A1 (0.43) FGFR1FGFR2ALDH1A1FGFR3CYP19A1
SCHEMBL3940442 0.73 GAA (0.51) FGFR1FGFR2HSD17B1HSD17B2ALDH1A1
SCHEMBL3936196 0.73 TAAR1 (0.47) ALDH1A1PDGFRBCYP19A1
SCHEMBL3930459 0.72 PLK1 (0.51) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL3930458 0.72 PLK1 (0.51) HSD17B1HSD17B2ALDH1A1MEN1KMT2A

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 FGFR1 1428/4885FGFR2 2044/4885HSD17B1 128/4885

“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.