SCHEMBL4011600

SCHEMBL4011600

COc1cc(COc2cc(N)n[nH]2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
NOS1 P29475 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.39
ABCB1 P08183 2/20 0.38
MPO P05164 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ENPP2 Q13822 1/20 0.36
DHFR P00374 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
MAOB P27338 2/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 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
SCHEMBL4011598 0.91 TACR1 (0.41) DYRK1ANOS1HSD17B10ALDH1A1HPGD
SCHEMBL4010796 0.77 NOS2 (0.49) DYRK1ANOS1ALDH1A1MAPTNOS3
SCHEMBL4014567 0.76 MPO (0.48) SMN1; SMN2MPOGAAMAPTMAOB
SCHEMBL64316 0.75 ALDH1A1 (0.40) NOS1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4011503 0.74 DYRK1A (0.49) DYRK1ANOS1HSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL64449 0.74 ALDH1A1 (0.39) NOS1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3020319 0.74
SCHEMBL4015895 0.74 MAPT (0.48) HSD17B10ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL161724 0.73
SCHEMBL1922681 0.73 CYP19A1 (0.51) DYRK1AHSD17B10ALDH1A1HPGDSMN1; SMN2

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 4821/4885NOS1 1302/4885HSD17B10 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.