SCHEMBL4015895

SCHEMBL4015895

CCOc1ccc(COc2cc(N)n[nH]2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CALM1 P0DP23 3/20 0.46
PIK3CD O00329 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
EPHB4 P54760 1/20 0.44
PRKDC P78527 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL3020319 0.77
SCHEMBL14288611 0.74 CALM1 (0.61) MAPTGAAKDM4ECALM1MAPK1
SCHEMBL4011600 0.74 DYRK1A (0.43) MAPTGAAKDRHSD17B10SMN1; SMN2
SCHEMBL15259653 0.73 CALM1 (0.59) MAPTGAAKDM4ECALM1NPC1
SCHEMBL4014567 0.71 MPO (0.48) MAPTGAAPIK3CDPIK3CAPIK3CB
SCHEMBL5708146 0.71 CALM1 (0.61) MAPTGAAKDM4ECALM1MAPK1
SCHEMBL8171761 0.70 CALM1 (0.65) MAPTGAAKDM4ECALM1MAPK1
Hydrochloric Acid SCHEMBL5708154 0.70 KDM4E (0.64) MAPTGAAKDM4ECALM1MAPK1
SCHEMBL4011598 0.69 TACR1 (0.41) MAPTKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL15259682 0.69 CALM1 (0.55) MAPTGAAKDM4ECALM1NPC1

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 MAPT 2200/4885GAA 159/4885KDM4E 3977/4885

“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.