SCHEMBL4011503

SCHEMBL4011503

COc1cc(OC)cc(OCc2cc(N)n[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NOS1 P29475 2/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
FGFR1 P11362 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
FYN P06241 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL19732648 0.80
SCHEMBL1922681 0.79 CYP19A1 (0.51) DYRK1AALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL4017016 0.78 RAB9A (0.46) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL14705862 0.77 SMN1; SMN2 (0.40) DYRK1AALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL4011600 0.74 DYRK1A (0.43) DYRK1AALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL4853841 0.72 DYRK1A (0.59) DYRK1AALDH1A1HPGDMAPTKDM4E
SCHEMBL20376336 0.72 DYRK1A (0.35) DYRK1AALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL4016450 0.71 DYRK1A (0.58) DYRK1AALDH1A1MAPTKDM4EFGFR1
SCHEMBL3935675 0.70 FGFR2 (0.44) DYRK1AFGFR1
SCHEMBL4097246 0.70 NOS2 (0.49) DYRK1AALDH1A1MAPTKDM4ENOS1

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 DYRK1A 4821/4885ALDH1A1 422/4885HSD17B10 157/4885

“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.