SCHEMBL127885

SCHEMBL127885

Cc1csc(C(C)(C)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NOS1 P29475 1/20 0.43
SSTR4 P31391 1/20 0.42
PDE10A Q9Y233 1/20 0.36
PDE4A P27815 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
FDPS P14324 1/20 0.34
RAB9A P51151 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8687634 0.86 PDE4A (0.44) SMN1; SMN2NOS1SSTR4PDE10APDE4A
SCHEMBL279632 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NOS1SSTR4PDE10AHSD17B10
Hydrochloric Acid SCHEMBL8870639 0.81 SSTR4 (0.39) SMN1; SMN2NOS1SSTR4PDE10APDE4A
SCHEMBL12818069 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NOS1SSTR4PDE10APDE4A
Ammonia Solution, Strong SCHEMBL28044491 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NOS1SSTR4PDE10AHSD17B10
SCHEMBL13151418 0.78 SSTR4 (0.43) SMN1; SMN2NOS1SSTR4PDE4AADORA1
SCHEMBL16366984 0.78 SSTR4 (0.43) SMN1; SMN2NOS1SSTR4PDE4AADORA1
SCHEMBL22715953 0.78 SSTR4 (0.38) SMN1; SMN2NOS1SSTR4PDE10APDE4A
SCHEMBL22715452 0.78 SSTR4 (0.38) SMN1; SMN2NOS1SSTR4PDE10APDE4A
SCHEMBL1612472 0.78 SSTR4 (0.38) SMN1; SMN2NOS1SSTR4PDE10APDE4A

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
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 SMN1; SMN2 4613/4885NOS1 1066/4885SSTR4 967/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 SMN1; SMN2 1029/4885NOS1 3611/4885SSTR4 3021/4885
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 SMN1; SMN2 3153/4885NOS1 2147/4885SSTR4 3252/4885

“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.