SCHEMBL206891

SCHEMBL206891

Fc1ccc(C(F)(F)F)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.59
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 6/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL207658 0.82 MEN1 (0.75) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL206252 0.82 KIT (0.71) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL206144 0.81 MAPK1 (0.68) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL205577 0.80 RAB9A (0.64) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL206371 0.80 MEN1 (0.67) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14286282 0.80 ABL1 (0.61) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19839869 0.79 RAB9A (0.70) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL207846 0.79 NPC1 (0.61) KITMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7679868 0.78 MAPK1 (0.82) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL23742622 0.77 CFTR (0.59) KITMEN1KMT2AMAPTALDH1A1

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 KIT 2627/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KIT 2627/4885MEN1 3862/4885KMT2A 3476/4885

“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.