SCHEMBL204872

SCHEMBL204872

Cc1sc(Nc2cccnc2)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
ALDH1A1 P00352 9/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.49
KDM4E B2RXH2 5/20 0.48
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 9/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PPARG P37231 4/20 0.47
NCOA2 Q15596 4/20 0.47
NCOA1 Q15788 4/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 2/20 0.47
NCOA3 Q9Y6Q9 2/20 0.47

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
SCHEMBL206078 0.80 ALDH1A1 (0.53) CDK5CDK5R1ALDH1A1KDM4ELMNA
SCHEMBL2697621 0.78 ALDH1A1 (0.52) CDK5CDK5R1ALDH1A1KDM4ELMNA
SCHEMBL12158254 0.77 CYP2A6 (0.47) ALDH1A1APEX1KDM4ELMNAPOLB
SCHEMBL250948 0.77 MAPT (0.50) ALDH1A1PKMAPEX1MAPTKMT2A
SCHEMBL12158108 0.76 GAA (0.53) ALDH1A1PKMKDM4ELMNAPOLB
SCHEMBL12639832 0.75 ALDH1A1 (0.59) ALDH1A1PKMAPEX1KDM4ELMNA
SCHEMBL12158105 0.74 MEN1 (0.58) ALDH1A1PKMKDM4ELMNAPOLB
SCHEMBL12158253 0.74 MEN1 (0.51) ALDH1A1PKMKDM4ELMNAPOLB
SCHEMBL12158099 0.74 KIF11 (0.56) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL12158250 0.74 MAPT (0.61) CDK5CDK5R1ALDH1A1PKMKDM4E

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 CDK5 1962/4885CDK5R1 873/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CDK5 1962/4885CDK5R1 873/4885ALDH1A1 109/4885

“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.