SCHEMBL4142886

SCHEMBL4142886

Cc1ccc(-c2c(C)nc(-c3cccc(F)c3O)n(CCC3CCOCC3)c2=O)s1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.66
NR1I2 O75469 6/20 0.66
BRD4 O60885 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
AR P10275 1/20 0.35
GNRHR P30968 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PIK3CD O00329 3/20 0.32
PIK3R2 O00459 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
PIK3R5 Q8WYR1 3/20 0.32
PIK3R3 Q92569 3/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32

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
SCHEMBL4140689 0.91 CASR (0.68) CASRNR1I2GNRHRCNR1CNR2
SCHEMBL4138495 0.80 CASR (0.70) CASRNR1I2GNRHRCNR1CNR2
SCHEMBL3344867 0.80 CASR (1.00) CASRNR1I2
SCHEMBL4142702 0.80 CASR (0.82) CASRNR1I2GNRHR
SCHEMBL4140461 0.79 CASR (0.75) CASRNR1I2GNRHR
SCHEMBL4139320 0.79 CASR (0.87) CASRNR1I2
SCHEMBL4145492 0.78 CASR (0.51) CASRNR1I2GNRHRCNR1CNR2
SCHEMBL4135374 0.78 CASR (0.84) CASRNR1I2
SCHEMBL4148822 0.73 CASR (1.00) CASRNR1I2
SCHEMBL4158412 0.72 CASR (0.84) CASRNR1I2

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US claimed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885NR1I2 3373/4885BRD4 3078/4885

“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.