SCHEMBL206568

SCHEMBL206568

c1cncc(-c2csc(Nc3nc(CN4CCCCC4)cs3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
RAB9A P51151 12/20 0.52
MEN1 O00255 11/20 0.52
KMT2A Q03164 11/20 0.52
NPC1 O15118 10/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
GAA P10253 3/20 0.52
PKM P14618 2/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
VCP P55072 1/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49

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
SCHEMBL208067 0.85 MEN1 (0.65) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL7679868 0.80 MAPK1 (0.82) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL206574 0.76 CYP1A1 (0.74) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL29265303 0.74 POLB (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2706626 0.74 MEN1 (0.61) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL22560267 0.73 MAPK1 (1.00) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL208387 0.72 RAB9A (0.58) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL12639823 0.72 MAPK1 (0.86) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL15993718 0.72 RAB9A (0.73) MAPK1RAB9AMEN1KMT2ANPC1
SCHEMBL19051382 0.71 SMN1; SMN2 (0.71) MAPK1RAB9AMEN1KMT2ANPC1

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 10 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 claimed
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 MAPK1 2390/4885RAB9A 1357/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPK1 2390/4885RAB9A 1357/4885MEN1 3862/4885

“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.