SCHEMBL2477067

SCHEMBL2477067

[c]1nc2c(s1)COc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 3/20 0.53
THRB P10828 1/20 0.43
HSD17B10 Q99714 2/20 0.41
ALPL P05186 1/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
MAOB P27338 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2480174 0.72 ADORA1 (0.49) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL5834659 0.71 KDM4E (0.54) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL10610309 0.71 KDM4E (0.54) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL2477193 0.71 KDR (0.40) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL2480149 0.70 BCHE (0.46) KDM4EMAPTNPC1RAB9AMAOB
SCHEMBL9206837 0.69 KDM4E (1.00) KDM4EALDH1A1LMNAGAATHRB
Iodide SCHEMBL4960911 0.68 KDM4E (0.97) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL11796102 0.66 KDM4E (0.47) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL558437 0.66 KMT2A (0.47) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL29799860 0.65 MAOB (0.60) KDM4EALDH1A1LMNAGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US claimed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US claimed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US claimed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP claimed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO claimed
CN-114539167-A Process for producing alkynyl ketone derivative 盐野义制药株式会社 2022-05-27 CN disclosed
US-9951051-B2 Process for producing alkynylketone derivative SHIONOGI & CO., LTD. (JP) 2018-04-24 US disclosed
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-13 US disclosed
EP-3150573-A1 METHOD FOR PRODUCING ALKYNYL KETONE DERIVATIVE Shionogi & Co., Ltd. (JP) 2017-04-05 EP disclosed
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP disclosed
US-8426589-B2 Process for production of quinazoline derivative SHIONOGI & CO., LTD. (JP) 2013-04-23 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
US-20040082626-A1 Cyclic compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1361220-A1 CYCLIC COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2003-11-12 EP disclosed
US-20030195231-A1 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2003-10-16 US disclosed
EP-1253142-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2002-10-30 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 (5 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD KDM4E 3328/4885ALDH1A1 1651/4885LMNA 1550/4885
US-20030195231-A1 Compounds exhibiting thrombopoietin receptor agonism MPL, TEK, NPY1R KDM4E 3921/4885ALDH1A1 2378/4885LMNA 1328/4885
US-20040082626-A1 Cyclic compounds exhibiting thrombopoietin receptor agonism TEK, MPL, NPY1R KDM4E 4175/4885ALDH1A1 2200/4885LMNA 3438/4885
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE PDK4, PDK3, PDK2 KDM4E 1149/4885ALDH1A1 560/4885LMNA 3483/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD KDM4E 3328/4885ALDH1A1 1651/4885LMNA 1550/4885

“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.