SCHEMBL4135906

SCHEMBL4135906

COc1c(F)cccc1C(=N)N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
KLK1 P06870 2/20 0.39
KLK5 Q9Y337 2/20 0.39
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 3/20 0.35
KRAS P01116 2/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
F2 P00734 2/20 0.33
LCLAT1 Q6UWP7 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
SCHEMBL5030195 0.87 AR (0.38) F10PRSS1PRSS2PRSS3KLK1
SCHEMBL528652 0.81 LMNA (0.43) KMT2ANPC1SMN1; SMN2KRASRAB9A
Hydrochloric Acid SCHEMBL28262394 0.80 LMNA (0.43) KMT2ANPC1SMN1; SMN2KRASRAB9A
SCHEMBL25670705 0.79 PRSS1 (0.42) F10PRSS1PRSS2PRSS3KLK1
SCHEMBL28185314 0.79 CA1 (0.46) F10PRSS1PRSS2PRSS3KLK1
SCHEMBL3226264 0.79 KMT2A (0.51) KLK1KLK5KMT2ANPC1SMN1; SMN2
SCHEMBL17063900 0.79 NPC1 (0.41) KMT2ANPC1SMN1; SMN2HCRTR2KRAS
SCHEMBL21163489 0.79 GAA (0.42) KMT2ANPC1SMN1; SMN2KRASRAB9A
SCHEMBL16955165 0.79 KMT2A (0.39) KMT2ANPC1SMN1; SMN2HCRTR2KRAS
Hydrochloric Acid SCHEMBL27491506 0.78 PRSS1 (0.41) F10PRSS1PRSS2PRSS3KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F10 2497/4885PRSS1 73/4885PRSS2 66/4885

“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.