SCHEMBL136436

SCHEMBL136436

COc1ccn[c]c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 5/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 2/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 3/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
HPGDS O60760 1/20 0.32
NQO1 P15559 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
SCHEMBL558616 0.74
SCHEMBL197155 0.71 CA12 (0.35)
SCHEMBL3430888 0.69
SCHEMBL3431779 0.69
SCHEMBL1965517 0.69
SCHEMBL15778927 0.69
SCHEMBL3431811 0.69
SCHEMBL2066425 0.69
SCHEMBL3213261 0.69
SCHEMBL12469017 0.69

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157922-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2018-11-28 EP claimed
US-10087180-B2 Pyrazolo-pyridine derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-02 US claimed
US-20170121324-A1 Pyrazolo-Pyridine Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2017-05-04 US claimed
EP-3157922-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2017-04-26 EP claimed
WO-2015193167-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2015-12-23 WO claimed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP claimed
EP-2393780-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2011-12-14 EP claimed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US claimed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 WO claimed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US claimed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO claimed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US claimed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP claimed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US claimed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US claimed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO claimed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP claimed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 ALDH1A1 2176/4885HTT 544/4885MAPK1 3584/4885
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3522/4885HTT 3721/4885MAPK1 418/4885
US-10087180-B2 Pyrazolo-pyridine derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2A ALDH1A1 3680/4885HTT 4743/4885MAPK1 116/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3907/4885HTT 2454/4885MAPK1 901/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 ALDH1A1 2610/4885HTT 1045/4885MAPK1 3316/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885HTT 3732/4885MAPK1 436/4885
US-20170121324-A1 Pyrazolo-Pyridine Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2A ALDH1A1 3680/4885HTT 4743/4885MAPK1 116/4885

“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.