SCHEMBL205257

SCHEMBL205257

c1cncc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.67
KMT2A Q03164 12/20 0.67
RAB9A P51151 9/20 0.67
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
GAA P10253 3/20 0.67
PKM P14618 2/20 0.67
LMNA P02545 1/20 0.67
VCP P55072 1/20 0.67
MAPK1 P28482 3/20 0.65
CYP1A1 P04798 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP1B1 Q16678 2/20 0.64
NPC1 O15118 9/20 0.63
TP53 P04637 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
CASP3 P42574 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62

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
SCHEMBL29654066 0.95 CYP1A1 (0.69) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL28707170 0.95 CYP1A1 (0.69) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL28716328 0.84 CYP1A1 (0.67) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL10072614 0.82 RAB9A (0.68) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL12297890 0.82 CYP1A1 (0.65) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL8296776 0.82 CYP1A1 (0.65) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL10072683 0.82 CYP1A1 (0.65) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL12297984 0.82 ESR1 (0.68) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL28713917 0.81 CYP1A1 (0.70) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL12639823 0.81 MAPK1 (0.86) MEN1KMT2ARAB9AMAPTSMN1; SMN2

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 MEN1 3862/4885KMT2A 3476/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885RAB9A 1357/4885

“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.