SCHEMBL764050

SCHEMBL764050

CCc1ccc2c(c1)N(C)C(=O)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
HTR1A P08908 5/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR1D P28221 3/20 0.47
HTR1B P28222 3/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
TP53 P04637 2/20 0.44
KMT2A Q03164 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR2C P28335 1/20 0.41
GRM4 Q14833 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8249215 0.88 HTR1A (0.52) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL13406065 0.88 HTR1A (0.52) PARP1PDE3BPDE3AHTR1ADRD2
SCHEMBL554626 0.86 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL9197069 0.86 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL8201340 0.86 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL19016817 0.85 HTR1A (0.50) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL22048464 0.85 PARP1 (0.41) PARP1PDE3BPDE3AHTR1ADRD2
SCHEMBL8185283 0.84 PDE3B (0.46) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL4173618 0.84 HTR1A (0.51) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL10929292 0.82 PDE3B (0.45) PDE3BPDE3AHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 EP disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (14 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 PARP1 1194/4885PDE3B 1869/4885PDE3A 2353/4885
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 PARP1 661/4885PDE3B 1726/4885PDE3A 2814/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 PARP1 496/4885PDE3B 2500/4885PDE3A 2904/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PARP1 1194/4885PDE3B 1869/4885PDE3A 2353/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 PARP1 272/4885PDE3B 336/4885PDE3A 231/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 PARP1 1789/4885PDE3B 1361/4885PDE3A 1592/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 156/4885PDE3B 550/4885PDE3A 605/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 PARP1 272/4885PDE3B 336/4885PDE3A 231/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 PARP1 176/4885PDE3B 960/4885PDE3A 1070/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 PARP1 320/4885PDE3B 1253/4885PDE3A 1400/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885

“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.