SCHEMBL4855337

SCHEMBL4855337

c1ccc2sc(-c3cc[nH]n3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
APP P05067 2/20 0.45
KDM1A O60341 1/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
IKBKB O14920 2/20 0.40
KCNH2 Q12809 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NQO1 P15559 1/20 0.40
NQO2 P16083 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DCK P27707 1/20 0.39
TNIK Q9UKE5 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL8788707 0.81 ALDH1A1 (0.50)
SCHEMBL2029826 0.77 CYP19A1 (0.35) CYP19A1
SCHEMBL31612242 0.76 CYP19A1 (0.43) CYP19A1APPKDM1AHSD17B1HSD17B2
SCHEMBL29732980 0.74 APP (0.63) CYP19A1APPHSD17B1HSD17B2CA1
SCHEMBL845603 0.74 APP (0.63) CYP19A1APPHSD17B1HSD17B2CA1
SCHEMBL3134206 0.73 CYP19A1 (0.50) CYP19A1APPKDM1AHSD17B1HSD17B2
SCHEMBL9236729 0.72 APP (0.49) CYP19A1APPKDM1AHSD17B1HSD17B2
SCHEMBL29415478 0.71 CYP19A1 (0.60) CYP19A1APPKDM1AIKBKBCYP11B1
SCHEMBL403651 0.71 CYP19A1 (0.60) CYP19A1APPKDM1AIKBKBCYP11B1
SCHEMBL2149612 0.71 APP (0.59) CYP19A1APPHSD17B1HSD17B2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR CYP19A1 1603/4885APP 4490/4885KDM1A 333/4885

“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.