SCHEMBL17859182

SCHEMBL17859182

COc1ccc(COc2ccc(-c3cc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)c(C(=N)N)cc3Cc3cc(F)cc(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
FFAR1 O14842 4/20 0.36
C5AR1 P21730 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
GSTP1 P09211 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK1 P28482 1/20 0.34
NOD2 Q9HC29 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL17859118 0.73 FFAR1 (0.39) MAPTFFAR1FFAR4ALDH1A1
SCHEMBL5432102 0.68 GSTP1 (0.51) F9F10MAPTNPSR1FFAR1
SCHEMBL17859173 0.68 FFAR1 (0.42) NPSR1FFAR1CYP11B1CYP11B2CYP1A2
SCHEMBL17848104 0.67 IKBKE (0.43) MAPTNPSR1FFAR1MAPK1NOD2
SCHEMBL17848120 0.65 IKBKE (0.41) MAPTNPSR1FFAR1GSTP1MAPK1
SCHEMBL20367158 0.64 GSTP1 (0.63) FFAR1MGAMGAASIMGAM2
SCHEMBL19091938 0.64 GSTP1 (0.63) FFAR1MGAMGAASIMGAM2
SCHEMBL14895605 0.61 MAOB (0.60) FFAR1
SCHEMBL228557 0.61 ABCB1 (0.60) MAPTNPSR1FFAR1FFAR4GSTP1
SCHEMBL228627 0.61 MAOB (0.58) FFAR1MGAMGAASIMGAM2

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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES MAP4K2, MAP3K20, MAPKAPK2 F9 4450/4885F10 3494/4885MAPT 467/4885

“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.