SCHEMBL206801

SCHEMBL206801

Cc1sc(Nc2ccc(OCC3CCCCC3)c(C(F)(F)F)c2)nc1-c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
CHRNA7 P36544 1/20 0.37
C5AR1 P21730 1/20 0.37
SYK P43405 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ULK1 O75385 1/20 0.35
ULK2 Q8IYT8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL205886 0.91 DHODH (0.38) DHODHHTR2AHTR2CCCNA2CDK2
SCHEMBL206964 0.83 MEN1 (0.50) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL6813290 0.83 CHRNA7 (0.40) DHODHHTR2AHTR2CCCNA2CDK2
SCHEMBL205994 0.82 S1PR1 (0.43) DHODHCCNA2CDK2CCNA1CHRNA7
SCHEMBL207103 0.82 CHRNA7 (0.39) DHODHHTR2AHTR2CCCNA2CDK2
SCHEMBL207649 0.82 DHODH (0.41) DHODHCCNA2CDK2CCNA1CHRNA7
SCHEMBL3119302 0.81 CHRNA7 (0.39) DHODHHTR2AHTR2CCCNA2CDK2
SCHEMBL205858 0.81 CYP11B1 (0.43) DHODHCCNA2CDK2CCNA1CHRNA7
SCHEMBL3121672 0.81 KMT2A (0.40) DHODHCCNA2CDK2CCNA1C5AR1
SCHEMBL206676 0.80 CYP11B1 (0.42) DHODHCCNA2CDK2CCNA1CHRNA7

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 DHODH 1219/4885HTR2A 4283/4885HTR2C 4052/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885HTR2A 4283/4885HTR2C 4052/4885

“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.