SCHEMBL207649

SCHEMBL207649

Cc1sc(Nc2ccc(OCCCc3cccnc3)c(C(F)(F)F)c2)nc1-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
CHRNA7 P36544 1/20 0.38
SYK P43405 2/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ROCK2 O75116 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
CTSS P25774 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL205858 0.96 CYP11B1 (0.43) DHODHCHRNA7SYKCYP11B1CYP11B2
SCHEMBL206676 0.93 CYP11B1 (0.42) DHODHCHRNA7SYKCYP11B1CYP11B2
SCHEMBL207010 0.91 DHODH (0.38) DHODHCHRNA7SYKCYP11B1CYP11B2
SCHEMBL205994 0.89 S1PR1 (0.43) DHODHCHRNA7CCNA2CDK2CCNA1
SCHEMBL205886 0.86 DHODH (0.38) DHODHCHRNA7CCNA2CDK2CCNA1
SCHEMBL206248 0.84 CYP11B1 (0.44) DHODHSYKCYP11B1CYP11B2ROCK2
SCHEMBL4211682 0.84 DHODH (0.39) DHODHCHRNA7SYKCYP11B1CYP11B2
SCHEMBL3124472 0.83 DHODH (0.41) DHODHCHRNA7SYKCYP11B1CYP11B2
SCHEMBL207221 0.83 MEN1 (0.52) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL206801 0.82 DHODH (0.39) DHODHCHRNA7SYKCCNA2CDK2

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 DHODH 1219/4885CHRNA7 4750/4885SYK 3675/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885CHRNA7 4750/4885SYK 3675/4885

“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.