SCHEMBL11028846

SCHEMBL11028846

O=C1NCc2c(Nc3ccc(F)cc3)ccnc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRKD3 O94806 1/20 0.42
EGFR P00533 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
SRC P12931 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AURKA O14965 7/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL11026897 0.85 PTGS1 (0.41) MAPTMEN1KMT2APRKD3RAB9A
SCHEMBL1160805 0.83 PTK6 (0.50) MEN1KMT2AEGFRALDH1A1PTGS1
SCHEMBL1160944 0.83 TYK2 (0.45) MAPTMEN1KMT2AAURKAAURKB
SCHEMBL1161168 0.81 AURKA (0.45) MAPTMEN1KMT2AEGFRAURKA
SCHEMBL1160876 0.80 AURKA (0.47) AURKAAURKBHTTMST1R
SCHEMBL11031701 0.80 AURKA (0.62) AURKAAURKBMST1R
SCHEMBL11030401 0.79 SLC2A1 (0.48) AURKAAURKBMAPK10MAPK14
SCHEMBL1161296 0.79 MAPKAPK2 (0.41) PRKCIAURKA
SCHEMBL11028314 0.79 DDR2 (0.38) AURKAAURKBMST1R
SCHEMBL11031649 0.79 LMNA (0.43) MAPTMEN1KMT2AAURKAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 MAPT 3151/4885MEN1 1765/4885KMT2A 708/4885

“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.