Sugi Predict

Sugi Predict / Compounds / SCHEMBL1161228

SCHEMBL1161228

SCHEMBL1161228

CCN1Cc2c(Nc3ccc(Cl)c(OC)c3)ccnc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.39
▸ BRD4 O60885 7/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ P2RY4 P51582 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ GAK O14976 2/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ COQ8A Q8NI60 1/20 0.34
▸ NLK Q9UBE8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ KDR P35968 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
SCHEMBL11026605 0.84 PTK6 (0.45) GRM4EGFRPTK6ERBB2KDR
SCHEMBL1161152 0.83 IDH1 (0.39) SRCPDE5AKDR
SCHEMBL1160764 0.82 AURKA (0.45) EGFRPTK6ERBB2GAKMAPK1
SCHEMBL1160940 0.82 ERBB2 (0.44) GRM4EGFRPTK6ERBB2
SCHEMBL1161206 0.81 GRM4 (0.42) GRM4BRD4HDAC6EGFRSRC
SCHEMBL1161157 0.79 IDH1 (0.42) EGFRSRCMAPT
SCHEMBL1160852 0.79 PTGS1 (0.38) EGFRPTK6MAPTPDGFRBKDR
SCHEMBL11027546 0.79 TYK2 (0.42) MAPTMAPK1PDGFRBKDR
SCHEMBL1160919 0.78 MAOA (0.40) EGFRERBB2FLT1KDR
SCHEMBL11028473 0.78 PTK6 (0.36) EGFRPTK6PDGFRBKDR

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 10 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
EP-2461869-A1 NOVEL BICYCLIC UREA COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 — — EP disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 — — WO 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 GRM4 4855/4885BRD4 158/4885HDAC6 911/4885

“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.