SCHEMBL4958725

SCHEMBL4958725

O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.60
ADORA2A P29274 1/20 0.60
KDM4E B2RXH2 7/20 0.59
MAPT P10636 6/20 0.59
KMT2A Q03164 6/20 0.59
NPC1 O15118 6/20 0.59
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 4/20 0.59
APAF1 O14727 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
TDP2 O95551 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CASP3 P42574 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL1822988 0.90 MAPT (0.70) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4957609 0.88 ADORA1 (0.66) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4960364 0.87 MAPT (0.73) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4960241 0.87 ADORA1 (0.61) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4960548 0.85 ADORA1 (0.57) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4961540 0.84 KDM4E (0.59) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL8666934 0.83 ADORA1 (0.55) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL14091298 0.81 ADORA1 (0.58) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4959609 0.81 MAPT (0.71) ADORA1ADORA2AKDM4EMAPTKMT2A
SCHEMBL4961278 0.81 MAPT (0.60) ADORA1ADORA2AKDM4EMAPTKMT2A

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-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US claimed
CN-1993336-A Substituted n-acyl-2-aminothiazoles HOFFMANN LA ROCHE (CH) 2007-07-04 CN claimed
EP-1791822-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP claimed
US-20060030589-A1 Substituted N-acyl-2-aminothiazoles HOFFMANN-LA ROCHE INC. 2006-02-09 US claimed
WO-2006013054-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO claimed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
CN-1993336-A Substituted n-acyl-2-aminothiazoles HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1791822-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP disclosed
US-20060030589-A1 Substituted N-acyl-2-aminothiazoles HOFFMANN-LA ROCHE INC. 2006-02-09 US disclosed
WO-2006013054-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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 (1 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-20060030589-A1 Substituted N-acyl-2-aminothiazoles SLC5A2, ABAT, AGTR2 ADORA1 2692/4885ADORA2A 3172/4885KDM4E 2350/4885

“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.