SCHEMBL8736583

SCHEMBL8736583

CCc1ccc2c(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
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
PARP1 P09874 1/20 0.36
SLC9A1 P19634 1/20 0.36
NR3C2 P08235 1/20 0.36
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 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
SCHEMBL764048 0.88 PDE3B (0.49) PDE3BPDE3ALMNAMAPTALDH1A1
SCHEMBL9203921 0.87 PDE3B (0.48) PDE3BPDE3ALMNAMAPTALDH1A1
SCHEMBL15161226 0.80 PDE3B (0.49) PDE3BPDE3ALMNAMAPTALDH1A1
SCHEMBL16362034 0.78 PDE3B (0.51) PDE3BPDE3ALMNAMAPTALDH1A1
SCHEMBL14320744 0.78 PDE3B (0.48) PDE3BPDE3ALMNAMAPTALDH1A1
SCHEMBL761239 0.76 PDE3B (0.46) PDE3BPDE3ALMNAALDH1A1SLC9A1
SCHEMBL8738570 0.76 PDE3B (0.46) PDE3BPDE3ALMNASLC9A1NR3C2
SCHEMBL17026909 0.75 PDE3B (0.46) PDE3BPDE3ALMNASLC9A1NR3C2
SCHEMBL8137628 0.75 SLC9A1 (0.48) PDE3BPDE3ALMNAMAPTALDH1A1
SCHEMBL16362032 0.74 NISCH (0.52) PDE3BPDE3ALMNAMAPTALDH1A1

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-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-11 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 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 (4 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 PDE3B 1869/4885PDE3A 2353/4885LMNA 4015/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1869/4885PDE3A 2353/4885LMNA 4015/4885
US-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, GDI2 PDE3B 1869/4885PDE3A 1284/4885LMNA 3274/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK PDE3B 1959/4885PDE3A 1981/4885LMNA 4065/4885

“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.