SCHEMBL4701523

SCHEMBL4701523

CCOC(=O)c1cc(N)n(-c2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.62
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
THRB P10828 1/20 0.52
PDE4D Q08499 1/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 1/20 0.51
APP P05067 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA9 Q16790 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL14357202 0.89 CA9 (0.61) CHRNA7PDE4DKMT2AMAPTMEN1
SCHEMBL11656484 0.87 CHRNA7 (0.62) CHRNA7GABRA2GABRB2PDE4DKMT2A
SCHEMBL5340205 0.86 CHRNA7 (0.61) CHRNA7GABRA2GABRB2THRBKMT2A
SCHEMBL2835335 0.86 KMT2A (0.65) THRBPDE4DKMT2AMAPTMEN1
SCHEMBL14357210 0.86 ADORA1 (0.53) CHRNA7THRBPDE4DKMT2AMAPT
SCHEMBL4703884 0.86 PDE4D (0.62) CHRNA7GABRA2GABRB2PDE4DKMT2A
SCHEMBL14357218 0.86 KMT2A (0.55) CHRNA7THRBPDE4DKMT2AMAPT
SCHEMBL16056546 0.85 PTGS2 (0.60) CHRNA7KMT2AMEN1L3MBTL1NPC1
SCHEMBL4704914 0.85 PDE4D (0.52) CHRNA7PDE4DKMT2AMAPTMEN1
SCHEMBL14357214 0.84 ALDH1A1 (0.54) CHRNA7PDE4DKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
EP-3122343-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 EP disclosed
WO-2015148350-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015148350-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 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 (3 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CHRNA7 1394/4885GABRA2 372/4885GABRB2 244/4885
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof NGFR, NGF, NTRK2 CHRNA7 878/4885GABRA2 1093/4885GABRB2 1149/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 CHRNA7 991/4885GABRA2 86/4885GABRB2 70/4885

“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.