SCHEMBL11029600

SCHEMBL11029600

O=C(O)Cc1ccc(Nc2ccnc3c2CNC(=O)N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.43
AURKA O14965 2/20 0.40
PDE4B Q07343 11/20 0.40
KMT2A Q03164 1/20 0.37
IKBKB O14920 1/20 0.36
MST1R Q04912 1/20 0.36
DDR2 Q16832 1/20 0.36
PDE4D Q08499 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL11028846 0.80 MAPT (0.42) AURKAKMT2AMST1R
SCHEMBL15195870 0.76 DDR2 (0.39) AURKAKMT2AIKBKBMST1RDDR2
SCHEMBL1161168 0.75 AURKA (0.45) AURKAKMT2AMST1R
SCHEMBL11029374 0.74 KDM4E (0.43) AURKAPDE4BPDE4D
SCHEMBL11031258 0.73 ADRA2A (0.53)
SCHEMBL11029715 0.72 PTGS1 (0.41) TYK2MST1R
SCHEMBL1160805 0.72 PTK6 (0.50) KMT2ACNR1
SCHEMBL15195873 0.71 PTGS1 (0.42) AURKA
SCHEMBL11026897 0.71 PTGS1 (0.41) KMT2A
SCHEMBL11031701 0.70 AURKA (0.62) AURKAMST1R

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 7 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

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 TYK2 3735/4885AURKA 566/4885PDE4B 1592/4885

“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.