SCHEMBL206223

SCHEMBL206223

FC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.53
KMT2A Q03164 12/20 0.53
RAB9A P51151 8/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 8/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KIT P10721 3/20 0.52
MAPK1 P28482 2/20 0.52
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
VCP P55072 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 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
SCHEMBL205592 0.90 P2RX3 (0.42) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL3130288 0.89 MEN1 (0.52) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL205482 0.86 P2RX3 (0.46) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL207853 0.86 CDK1 (0.42) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL206964 0.86 MEN1 (0.50) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL205746 0.86 MEN1 (0.61) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL208662 0.85 MEN1 (0.49) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL206165 0.85 ALOX5 (0.49) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL205766 0.85 MEN1 (0.53) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL207320 0.83 P2RX3 (0.46) 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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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.