SCHEMBL17848104

SCHEMBL17848104

COc1ccc(COc2ccc(-c3cc4[nH]nc(N)c4cc3Cc3cc(F)cc(F)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPK1 P28482 4/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
NOD2 Q9HC29 1/20 0.39
NTRK1 P04629 2/20 0.38
CSF1R P07333 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
FFAR1 O14842 1/20 0.38
GSK3B P49841 2/20 0.37
MAOB P27338 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL17848143 0.81 FGFR1 (0.43) DYRK1ANTRK1CSF1RGSK3B
SCHEMBL17848120 0.78 IKBKE (0.41) IKBKECLK1DYRK1ACNR2CNR1
SCHEMBL6488370 0.77 IKBKE (0.57) IKBKEMAPK1MAPTNPSR1NTRK1
SCHEMBL6491284 0.76 IKBKE (0.58) IKBKEMAPK1MAPTNPSR1NTRK1
SCHEMBL6489684 0.74 IKBKE (0.55) IKBKEMAPK1MAPTNPSR1NOD2
SCHEMBL17859173 0.74 FFAR1 (0.42) CNR1NPSR1FFAR1MAOBAPP
SCHEMBL216014 0.74 CNR2 (0.54) IKBKECNR2CNR1MAP2K4MAOB
SCHEMBL214502 0.74 CNR2 (0.58) IKBKECNR2CNR1GSK3BMAOB
SCHEMBL20560056 0.73 MKNK1 (0.47) DYRK1AMAPK1NTRK1CSF1RGSK3B
SCHEMBL1760616 0.73 GYS1 (0.49)

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 4 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
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO 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 IKBKE 289/4885CLK1 482/4885DYRK1A 986/4885

“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.