SCHEMBL11029656

SCHEMBL11029656

CCN1Cc2c(Nc3cccc(C(F)(F)F)c3C)ccnc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
P2RX7 Q99572 9/20 0.36
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
LRRK2 Q5S007 1/20 0.34
P2RX3 P56373 1/20 0.34
TEAD1 P28347 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
PIK3CD O00329 4/20 0.33
PIK3C2B O00750 4/20 0.33
MTOR P42345 4/20 0.33
PIK3CG P48736 4/20 0.33
GPR52 Q9Y2T5 1/20 0.33

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
SCHEMBL27878953 0.82 DHODH (0.40) DHODHHDAC6TAS2R14P2RX7CYP1A2
SCHEMBL1160953 0.81 IDH1 (0.34) P2RX7
SCHEMBL11031600 0.77 MAPK10 (0.44) P2RX7TSHR
SCHEMBL11029512 0.76 CDK4 (0.40)
SCHEMBL1161157 0.76 IDH1 (0.42)
SCHEMBL1160940 0.74 ERBB2 (0.44) TSHR
SCHEMBL11030109 0.74 PDGFRB (0.37)
SCHEMBL11027546 0.73 TYK2 (0.42) DHODHTSHR
SCHEMBL11028586 0.72 AURKA (0.57)
SCHEMBL11024954 0.72 AURKA (0.59)

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 6 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
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
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 DHODH 1234/4885HDAC6 911/4885TAS2R14 3745/4885

“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.