SCHEMBL5445685

SCHEMBL5445685

Cc1nc(-c2ccccc2O)c(CCc2ccccc2)c(=O)n1CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.48
NR1I2 O75469 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL5443722 0.85 CASR (0.56) CASRNR1I2MEN1KMT2AGFER
SCHEMBL5436798 0.85 CASR (0.47) CASRNR1I2TP53MAPTSMN1; SMN2
SCHEMBL5443930 0.84 CASR (0.56) CASRNR1I2MEN1KMT2AGFER
SCHEMBL5443942 0.83 CASR (0.50) CASRNR1I2SMN1; SMN2MEN1KMT2A
SCHEMBL5449155 0.83 CASR (0.45) CASRTP53MAPTSMN1; SMN2MEN1
SCHEMBL5439189 0.83 CASR (0.50) CASRNR1I2TP53MAPTSMN1; SMN2
SCHEMBL5438968 0.82 CASR (0.54) CASRNR1I2TP53SMN1; SMN2MEN1
SCHEMBL5446085 0.82 CASR (0.49) CASRNR1I2MEN1KMT2AGFER
SCHEMBL5453860 0.82 CASR (0.49) CASRNR1I2MAPTSMN1; SMN2MEN1
SCHEMBL5435444 0.82 CASR (0.50) CASRNR1I2MEN1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US claimed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
EP-1809611-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-07-25 EP disclosed
WO-2006041968-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 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-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics PTMS, CALCR, TYMP CASR 60/4885NR1I2 3430/4885TP53 3378/4885

“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.