SCHEMBL6970612

SCHEMBL6970612

COC(=O)CC(=O)/C=C/c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
EGFR P00533 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NLRP3 Q96P20 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFE2L2 Q16236 3/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
BACE1 P56817 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
SCHEMBL6970617 1.00 JAK2 (0.46) JAK2EGFRMAOAMAOBLMNA
SCHEMBL12530272 0.81 JAK2 (0.47) JAK2EGFRMAOAMAOBLMNA
SCHEMBL7301264 0.81 JAK2 (0.50) JAK2EGFRMAOAMAOBLMNA
SCHEMBL7301257 0.81 JAK2 (0.50) JAK2EGFRMAOAMAOBLMNA
SCHEMBL4573050 0.75 JAK2 (0.50) JAK2EGFRMAOAMAOBLMNA
SCHEMBL4573054 0.75 JAK2 (0.50) JAK2EGFRMAOAMAOBLMNA
SCHEMBL18250750 0.75 JAK2 (0.49) JAK2EGFRMAOAMAOBLMNA
SCHEMBL29722785 0.74 JAK2 (0.53) JAK2EGFRMAOAMAOBLMNA
SCHEMBL8276819 0.74 MAPT (0.58) JAK2EGFRMAOAMAOBLMNA
SCHEMBL8213777 0.74 MAPT (0.58) JAK2EGFRMAOAMAOBLMNA

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-6649767-B2 Contacting an enamine compound with a ketonic compound in presence of a base, treating the reaction mixture thus obtained with an acid or combinations of acids PFIZER, INC. 2003-11-18 US disclosed
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
US-20030078430-A1 Process for preparing 1,4-dihydropyridine compounds PFIZER INC. 2003-04-24 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
EP-1110962-A1 Process for preparing 1,4-dihydropyridine compounds PFIZER INC. (US) 2001-06-27 EP disclosed
EP-1106615-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP 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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 JAK2 919/4885EGFR 1362/4885MAOA 1195/4885
US-20030078430-A1 Process for preparing 1,4-dihydropyridine compounds QDPR, HRH1, HRH4 JAK2 2016/4885EGFR 4233/4885MAOA 491/4885
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 JAK2 643/4885EGFR 1446/4885MAOA 3007/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 JAK2 1026/4885EGFR 1219/4885MAOA 916/4885

“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.