SCHEMBL488916

SCHEMBL488916

Nc1ccc(-c2cncc(OCc3ccc(Cl)cc3)c2)cn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 8/20 0.72
LTA4H P09960 1/20 0.54
MAP4K4 O95819 1/20 0.51
CYP1A2 P05177 1/20 0.51
KCNH2 Q12809 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
TNIK Q9UKE5 1/20 0.51
DHFR P00374 1/20 0.48
TEC P42680 1/20 0.46
PIK3CD O00329 2/20 0.46
MAOB P27338 3/20 0.43
AKT1 P31749 1/20 0.43
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42

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
SCHEMBL488102 0.80 MAP4K4 (0.59) INPPL1LTA4HMAP4K4CYP1A2KCNH2
SCHEMBL30454152 0.80 MAP4K4 (0.59) INPPL1LTA4HMAP4K4CYP1A2KCNH2
SCHEMBL11177596 0.78 MAOB (0.59) LTA4HCYP1A2DHFRTECMAOB
SCHEMBL21076862 0.77 INPPL1 (0.59) INPPL1LTA4HMAP4K4KCNH2PIK3CD
SCHEMBL22869172 0.75 INPPL1 (0.56) INPPL1LTA4HMAP4K4MINK1PIK3CD
SCHEMBL16826233 0.75 PIK3CD (0.61) INPPL1LTA4HMAP4K4CYP1A2KCNH2
SCHEMBL9936469 0.74 CYP11B1 (0.57) INPPL1LTA4HMAP4K4CYP1A2PIK3CD
SCHEMBL21044043 0.74 INPPL1 (0.55) INPPL1LTA4HMAP4K4CYP1A2KCNH2
SCHEMBL27650145 0.74 FFAR1 (0.44) INPPL1MAOB
SCHEMBL312830 0.73 LTA4H (0.79) INPPL1LTA4HMAP4K4CYP1A2KCNH2

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
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 INPPL1 1551/4885LTA4H 3789/4885MAP4K4 10/4885

“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.