SCHEMBL4013832

SCHEMBL4013832

c1nc(NCCCN2CCCC2)c2cc(-c3ccc4ncnc(Nc5ccc(N6CCOCC6)cc5)c4c3)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
MAPT P10636 2/20 0.60
AHR P35869 1/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 8/20 0.60
PI4KB Q9UBF8 1/20 0.60
CYP1A2 P05177 13/20 0.57
CYP3A4 P08684 13/20 0.57
CLK4 Q9HAZ1 12/20 0.57
CYP2D6 P10635 10/20 0.57
USP2 O75604 9/20 0.57
HSD17B10 Q99714 6/20 0.57
CYP2C19 P33261 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
EGFR P00533 3/20 0.55
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL4010987 0.96 ALDH1A1 (0.64) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4007548 0.95 MAPK1 (0.63) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4007243 0.92 CYP1A2 (0.67) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4008515 0.85 MAPT (0.80) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4759642 0.84 SRC (0.60) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL5103599 0.83 MAPT (0.62) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4937677 0.81 SRC (0.57) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4791053 0.81 MAPT (0.61) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL14026142 0.80 MAPK1 (0.72) MAPK1MAPTAHRHTTALDH1A1
SCHEMBL4007152 0.80 MAPK1 (0.72) MAPK1MAPTAHRHTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844004-B1 QUINAZOLINE DERIVATES AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2009-06-24 EP disclosed
US-20080114008-A1 Quinazoline Derivatives as Antiviral Agents ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 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-20080114008-A1 Quinazoline Derivatives as Antiviral Agents IFNAR1, C5, EIF2AK2 MAPK1 3003/4885MAPT 4840/4885AHR 850/4885

“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.