SCHEMBL1161284

SCHEMBL1161284

CCN1Cc2c(Nc3ccc(-c4ccn(C)n4)cc3)ccnc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
CYP19A1 P11511 1/20 0.36
IDH1 O75874 3/20 0.35
ENPP1 P22413 5/20 0.34
KEAP1 Q14145 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
KMT2A Q03164 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MAPK10 P53779 1/20 0.31
ALK Q9UM73 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL1161157 0.82 IDH1 (0.42) IDH1ENPP1JAK2JAK1KMT2A
SCHEMBL11028407 0.82 RAB9A (0.44) KMT2A
SCHEMBL11030104 0.80 MAPKAPK2 (0.41) ENPP1JAK2
SCHEMBL1160821 0.80 ALK (0.40) ENPP1KMT2AALK
SCHEMBL1161212 0.79 ADRA2A (0.49) JAK2
SCHEMBL1160826 0.78 BRD4 (0.39) BRD4CREBBPJAK2JAK1KMT2A
SCHEMBL1160979 0.78 ROCK1 (0.41) BRD4CREBBPIDH1JAK2MAPK10
SCHEMBL11030882 0.77 SLC2A1 (0.44) JAK2JAK1MAPK10
SCHEMBL11027546 0.76 TYK2 (0.42) ENPP1KMT2A
SCHEMBL1160852 0.76 PTGS1 (0.38) IDH1ENPP1KMT2A

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 BRD4 158/4885CREBBP 506/4885CYP19A1 759/4885

“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.