SCHEMBL666370

SCHEMBL666370

[c]1nc2c(s1)Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.49
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
LTK P29376 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK8 P49336 1/20 0.49
LIMK1 P53667 1/20 0.49
CDK5 Q00535 1/20 0.49
DYRK1A Q13627 1/20 0.49
LRRK2 Q5S007 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
ADORA1 P30542 3/20 0.47
METAP2 P50579 1/20 0.41
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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 0.84 ADORA1 (0.49) MAPK8CHEK1DAPK3LTKCSNK1A1
SCHEMBL2480149 0.81 BCHE (0.46) ADORA1KDM4ENPC1MAPTTSHR
SCHEMBL7497588 0.77 ACHE (0.43) ADORA1TP53MAPTACHESRD5A2
SCHEMBL2477067 0.74 KDM4E (0.53) KDM4EMEN1NPC1MAPTPKM
SCHEMBL2477193 0.71 KDR (0.40) MEN1TP53CYP2D6MAPTKMT2A
SCHEMBL29816885 0.68 MAPK8 (0.50) MAPK8CHEK1DAPK3LTKCSNK1A1
SCHEMBL2439631 0.68 MAPK8 (0.50) MAPK8CHEK1DAPK3LTKCSNK1A1
SCHEMBL4959991 0.66 CHEK1 (1.00) MAPK8CHEK1DAPK3LTKCSNK1A1
SCHEMBL31321386 0.66 CHEK1 (1.00) MAPK8CHEK1DAPK3LTKCSNK1A1
SCHEMBL12798139 0.66 CHEK1 (0.65) MAPK8CHEK1DAPK3LTKCSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386511-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2021-05-12 EP claimed
US-10874672-B2 Methods for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2020-12-29 US claimed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
WO-2024115733-A1 FUSED PYRROLYL-SULFONAMIDE COMPOUNDS REWIND THERAPEUTICS NV (BE) 2024-06-06 WO disclosed
EP-4347558-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS ReWind Therapeutics NV (BE) 2024-04-10 EP disclosed
CN-117794898-A 3-pyrrolylsulfonamide compounds as GPR17 antagonists 瑞文德医疗公众有限公司 2024-03-29 CN disclosed
WO-2024059119-A2 COMPOUNDS AND THEIR USE IN FILTERING ULTRAVIOLET AND/OR HIGH-ENERGY VISIBLE LIGHT SOLIOME, INC. (US) 2024-03-21 WO disclosed
EP-3386511-B2 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-03-20 EP disclosed
US-20030195231-A1 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2003-10-16 US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20030195231-A1 Compounds exhibiting thrombopoietin receptor agonism MPL, TEK, NPY1R MAPK8 1087/4885CHEK1 2720/4885DAPK3 2414/4885
US-10874672-B2 Methods for treating Huntington's disease HTT, HYPK, FH MAPK8 4436/4885CHEK1 4380/4885DAPK3 3655/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 MAPK8 3464/4885CHEK1 4574/4885DAPK3 1417/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MAPK8 3381/4885CHEK1 4652/4885DAPK3 1389/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MAPK8 3464/4885CHEK1 4574/4885DAPK3 1417/4885

“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.