SCHEMBL617078

SCHEMBL617078

COc1cc(OC)c2cnc(-c3ccc(N4CCC(O)CC4)cc3)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
GAK O14976 2/20 0.42
MAP4K1 Q92918 1/20 0.42
MTOR P42345 4/20 0.41
PDPK1 O15530 1/20 0.38
NTSR1 P30989 1/20 0.38
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
USP8 P40818 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
ALK Q9UM73 1/20 0.36
DCLK1 O15075 1/20 0.36
MAPK7 Q13164 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
IRAK1 P51617 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL617256 0.84 GAK (0.42) GAKMAP4K1MTORTRPM8CCNC
SCHEMBL377737 0.73 PDE7A (0.48) CHEK1USP8
SCHEMBL31115538 0.73 PDE7A (0.48) CHEK1USP8
SCHEMBL615975 0.67 EHMT2 (0.40) MTORNTSR1FGFR2FGFR3
SCHEMBL1304918 0.67 MTOR (0.52) GAKMAP4K1MTORNTSR1FGFR2
SCHEMBL15328156 0.67 TGFBR1 (0.54) MAP4K1
SCHEMBL30459652 0.67 TGFBR1 (0.54) MAP4K1
SCHEMBL618561 0.65 MAP4K1 (0.49) MAP4K1MTORNTSR1FGFR2FGFR3
SCHEMBL15328365 0.64 CHRNB2 (0.51) MAP4K1
SCHEMBL3391134 0.64 SLC18A3 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CHEK1 3494/4885GAK 1410/4885MAP4K1 1470/4885

“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.