SCHEMBL1852773

SCHEMBL1852773

CN1CCN([CH]c2ccccc2)C(Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
POLB P06746 1/20 0.37
MC4R P32245 1/20 0.37
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
CHRM1 P11229 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL1854513 0.71 SIGMAR1 (0.52) SIGMAR1POLBMC4RHRH1HPGD
SCHEMBL28563678 0.68 HSP90AA1 (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL16226109 0.68 OPRM1 (0.51) MC4RHRH1CHRM1MAPK1SMN1; SMN2
SCHEMBL16268555 0.64 HSP90AA1 (0.41) NPC1RAB9A
SCHEMBL7503020 0.62 CHRNB2 (0.33) SIGMAR1ALDH1A1
SCHEMBL10681519 0.62 ATM (0.46)
SCHEMBL2465377 0.62 CYP1A2 (0.38) SIGMAR1HPGDMEN1KMT2A
SCHEMBL13041010 0.61 SIGMAR1 (0.58) SIGMAR1POLBMC4RHRH1HTR6
SCHEMBL31547211 0.61 SIGMAR1 (0.58) SIGMAR1POLBMC4RHRH1HTR6
SCHEMBL8918158 0.60 CA1 (0.49) MC4R

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-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
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 SIGMAR1 647/4885POLB 1929/4885MC4R 557/4885

“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.