SCHEMBL205553

SCHEMBL205553

N#Cc1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.70
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
VCP P55072 2/20 0.50
CFTR P13569 2/20 0.49
CYP1A1 P04798 5/20 0.48
CYP1A2 P05177 5/20 0.48
CYP1B1 Q16678 5/20 0.48
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
CDC7 O00311 1/20 0.47
NPY5R Q15761 1/20 0.46

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
SCHEMBL205404 0.87 VCP (0.65) AGERMEN1NPC1RAB9AKMT2A
SCHEMBL208940 0.85 NPY5R (0.66) MEN1NPC1RAB9AKMT2AVCP
SCHEMBL29276772 0.83 AGER (0.75) AGERMEN1NPC1RAB9AKMT2A
SCHEMBL16603960 0.82 AGER (1.00) AGERMEN1NPC1RAB9AKMT2A
SCHEMBL19851004 0.80 AGER (0.70) AGERMEN1NPC1RAB9AKMT2A
SCHEMBL206799 0.80 AGER (0.70) AGERMEN1NPC1RAB9AKMT2A
SCHEMBL206837 0.79 AGER (0.69) AGERMEN1NPC1RAB9AKMT2A
SCHEMBL12298023 0.78 CFTR (0.74) MEN1NPC1RAB9AKMT2AVCP
SCHEMBL1885926 0.77 MAPT (0.68) MEN1NPC1RAB9AKMT2AVCP
SCHEMBL205146 0.76 AGER (0.65) AGERMEN1NPC1RAB9AKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 AGER 3576/4885MEN1 3862/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 AGER 3576/4885MEN1 3862/4885NPC1 62/4885

“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.