SCHEMBL1850666

SCHEMBL1850666

CN1CCN([CH]Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.55
SIGMAR1 Q99720 3/20 0.49
IDO1 P14902 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
HRH1 P35367 1/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTR6 P50406 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL945418 0.81 MAOB (0.48) SIGMAR1KDM4EMAPTHPGDMAPK1
SCHEMBL949223 0.79 TSHR (0.48) SIGMAR1MAPTHPGDMAPK1MAOB
SCHEMBL4696739 0.76 SIGMAR1 (0.55) SIGMAR1MAOBHTR6
SCHEMBL946953 0.76 LMNA (0.50) SIGMAR1KDM4EHPGDMAPK1MAOB
SCHEMBL27793480 0.76 MC4R (0.59) MC4RSIGMAR1HRH4HRH1TP53
SCHEMBL1044943 0.71 MC4R (1.00) MC4RSIGMAR1HRH4TP53NPC1
SCHEMBL221139 0.71 MC4R (1.00) MC4RSIGMAR1HRH4TP53NPC1
SCHEMBL2316820 0.71 MC4R (1.00) MC4RSIGMAR1HRH4TP53NPC1
SCHEMBL20450127 0.71 KMT2A (0.44) SIGMAR1HRH1KDM4EMAOBRAB9A
SCHEMBL17058100 0.71 MC4R (0.53) MC4RSIGMAR1IDO1HRH4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101965351-A Benzofuran pyrimidinones EXELIXIS INC 2011-02-02 CN claimed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US claimed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP claimed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO claimed
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
CN-101965351-A Benzofuran pyrimidinones EXELIXIS INC 2011-02-02 CN disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 MC4R 557/4885SIGMAR1 647/4885IDO1 4407/4885

“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.