SCHEMBL13387062

SCHEMBL13387062

NC(=O)c1c[nH]c2ncc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 12/20 0.44
DYRK1A Q13627 2/20 0.44
GSK3B P49841 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL15882691 0.79 DYRK1A (0.48) AXLDYRK1AGSK3BCDC7PLK4
SCHEMBL22049462 0.79 AXL (0.42) AXLDYRK1AGSK3BCDC7PLK4
SCHEMBL15942804 0.79 BRAF (0.45) AXLDYRK1AGSK3BCDC7PLK4
SCHEMBL28489988 0.79 JAK2 (0.48) AXLDYRK1AGSK3BCDC7PLK4
SCHEMBL20584650 0.78 AXL (0.71) AXLDYRK1AGSK3BCDC7PLK4
SCHEMBL2671287 0.78 AXL (0.45) AXLITKCAMKK2SGK1
SCHEMBL30731289 0.78 AXL (0.45) AXLDYRK1AGSK3BCDC7PLK4
SCHEMBL29564788 0.78 AXL (0.45) AXLITKCAMKK2SGK1
SCHEMBL20319065 0.78 AXL (0.45) AXLDYRK1AITKCAMKK2SGK1
SCHEMBL22554109 0.78 AXL (0.45) AXLDYRK1AGSK3BCDC7PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 EP disclosed
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 EP disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 US disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 US disclosed
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-04-23 US disclosed
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-04-23 US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2699576-A1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL - COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2014-02-26 EP disclosed
WO-2012143813-A1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL - COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-26 WO disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 US disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 AXL 4690/4885DYRK1A 4223/4885GSK3B 319/4885
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 AXL 4690/4885DYRK1A 4223/4885GSK3B 319/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 AXL 4724/4885DYRK1A 4172/4885GSK3B 326/4885
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 AXL 4724/4885DYRK1A 4172/4885GSK3B 326/4885

“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.