SCHEMBL4791053

SCHEMBL4791053

c1nc(Nc2ccc(N3CCOCC3)cc2)c2cc(-c3ccc(OCCN4CCOCC4)cc3)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
MAPK1 P28482 1/20 0.61
AHR P35869 1/20 0.61
HTT P42858 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
SRC P12931 1/20 0.54
CYP1A2 P05177 6/20 0.52
CYP3A4 P08684 6/20 0.52
CLK4 Q9HAZ1 5/20 0.52
CYP2D6 P10635 4/20 0.52
USP2 O75604 4/20 0.52
ALDH1A1 P00352 4/20 0.52
EGFR P00533 6/20 0.51
ILK Q13418 1/20 0.51
HSD17B10 Q99714 3/20 0.51
EPHA2 P29317 1/20 0.51
KDR P35968 1/20 0.51
EPHB4 P54760 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL4759642 0.95 SRC (0.60) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4759186 0.88 MAPT (0.57) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4940130 0.87 KDR (0.62) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4937051 0.87 KDR (0.62) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4007243 0.87 CYP1A2 (0.67) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4008515 0.86 MAPT (0.80) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4886091 0.84 EGFR (0.62) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4010987 0.84 ALDH1A1 (0.64) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4937677 0.83 SRC (0.57) MAPTMAPK1AHRHTTPI4KB
SCHEMBL14026142 0.83 MAPK1 (0.72) MAPTMAPK1AHRHTTPI4KB

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-1991533-A1 CHEMICAL COMPOUNDS Arrow Therapeutics Limited (GB) 2008-11-19 EP disclosed
US-20080267914-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2007042782-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2007-04-19 WO 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-20080267914-A1 Chemical Compounds RNASEL, ZC3HAV1L, RNASEH1 MAPT 4645/4885MAPK1 1706/4885AHR 842/4885

“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.