SCHEMBL764048

SCHEMBL764048

CCc1ccc2c(c1)N(C)C(=O)C(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
REN P00797 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC9A1 P19634 1/20 0.36
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35

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
SCHEMBL8736583 0.88 PDE3B (0.46) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL89095 0.80 PDE3B (0.52) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL16362031 0.78 PDE3B (0.54) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL21939316 0.78 PDE3B (0.51) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL14320708 0.78 PDE3B (0.51) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL13545302 0.76 PDE3B (0.49) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL21939288 0.76 PDE3B (0.49) PDE3BPDE3AALDH1A1MAPTLMNA
SCHEMBL762018 0.76 PDE3B (0.49) PDE3BPDE3AALDH1A1MAPTRECQL
SCHEMBL1654900 0.75 PDE3B (0.48) PDE3BPDE3AALDH1A1MAPTLMNA
SCHEMBL9203921 0.75 PDE3B (0.48) PDE3BPDE3AALDH1A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 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-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 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 (6 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 2353/4885ALDH1A1 4344/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1869/4885PDE3A 2353/4885ALDH1A1 4344/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1361/4885PDE3A 1592/4885ALDH1A1 3700/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1361/4885PDE3A 1592/4885ALDH1A1 3700/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK PDE3B 1959/4885PDE3A 1981/4885ALDH1A1 4478/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1869/4885PDE3A 2353/4885ALDH1A1 4344/4885

“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.