SCHEMBL8738570

SCHEMBL8738570

CC(C)c1ccc2c(c1)OC(C)(C)C(=O)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
SLC9A1 P19634 2/20 0.41
LMNA P02545 2/20 0.41
NR1H3 Q13133 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
TSHR P16473 1/20 0.36
NR3C2 P08235 1/20 0.36
LRRK2 Q5S007 2/20 0.34
NISCH Q9Y2I1 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RNASEH1 O60930 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 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
SCHEMBL13340824 0.84 GABRG2 (0.40) PDE3BPDE3ASLC9A1LMNANR1H3
SCHEMBL13340980 0.84 SLC9A1 (0.57) PDE3BPDE3ASLC9A1NR1H3OPRM1
SCHEMBL13340925 0.82 OPRD1 (0.43) PDE3BPDE3ASLC9A1OPRK1NR3C2
SCHEMBL13340990 0.82 SLC9A1 (0.37) PDE3BPDE3ASLC9A1NR1H3OPRM1
SCHEMBL13340916 0.81 SLC9A1 (0.39) SLC9A1OPRK1NR3C2POLBKMT2A
SCHEMBL13340970 0.80 NR3C2 (0.42) PDE3BPDE3ALMNANR1H3OPRM1
SCHEMBL15161226 0.80 PDE3B (0.49) PDE3BPDE3ASLC9A1LMNAKRAS
SCHEMBL13340926 0.79 SLC9A1 (0.35) SLC9A1LMNANR1H3OPRM1OPRK1
SCHEMBL13340988 0.79 CRHR1 (0.36) PDE3BPDE3ASLC9A1OPRM1OPRK1
SCHEMBL16362034 0.78 PDE3B (0.51) PDE3BPDE3ASLC9A1LMNANR3C2

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-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US 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-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1361/4885PDE3A 1592/4885SLC9A1 3984/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ PDE3B 113/4885PDE3A 138/4885SLC9A1 1869/4885

“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.