SCHEMBL3140913

SCHEMBL3140913

Oc1cc(O)nc(C2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PDE5A O76074 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMO O15229 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
S1PR3 Q99500 2/20 0.34

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
SCHEMBL18557126 1.00 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18557111 1.00 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18557124 1.00 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL26984682 0.98 CHRM3 (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1286191 0.88 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21573272 0.86 GSK3A (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL17376493 0.86 CHRM3 (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL16682874 0.84 GSK3A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL15103644 0.84 BACE1 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL15103604 0.79 BACE1 (0.33) CHRM3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256703-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-09-11 US disclosed
US-20140256703-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-09-11 US disclosed
US-20140256703-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-09-11 US disclosed
US-8426425-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8426425-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8426425-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
EP-2099787-B1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-07-21 EP disclosed
EP-2099787-B1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-07-21 EP disclosed
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 US disclosed
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 US disclosed
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 US disclosed
WO-2008077086-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-26 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 (2 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-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K20, PRKDC CHRM3 4852/4885PDE4A 827/4885PDE4B 890/4885
US-20140256703-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K20, PRKDC CHRM3 4852/4885PDE4A 827/4885PDE4B 890/4885

“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.