SCHEMBL2697782

SCHEMBL2697782

CCCCCN(C)c1ccc(Nc2nc(Cc3ccc(OC)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.38
PTGS2 P35354 4/20 0.36
MAPT P10636 9/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
GAA P10253 5/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
UBE2N P61088 1/20 0.36
POLB P06746 1/20 0.35
ALOX5 P09917 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 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
SCHEMBL2695836 0.90 ADRB2 (0.34) MAPTMEN1KMT2AGAARAB9A
SCHEMBL2698468 0.90 MAPT (0.39) MAPTMEN1KMT2AGAARAB9A
SCHEMBL2705514 0.89 MAPT (0.38) MAPTMEN1KMT2AGAARAB9A
SCHEMBL2697500 0.89 ADRB2 (0.42) MAPTMEN1KMT2AGAARAB9A
SCHEMBL2705327 0.87 CACNA1G (0.41) MAPTMEN1KMT2AGAARAB9A
SCHEMBL206499 0.84 S1PR1 (0.42) KDRPTGS2MAPTMEN1KMT2A
SCHEMBL2697941 0.84 ADRB2 (0.36) MAPTMEN1KMT2AGAACYP1A2
SCHEMBL205682 0.83 S1PR1 (0.43) KDRPTGS2MAPTMEN1KMT2A
SCHEMBL2697517 0.83 BRAF (0.36) MAPTMEN1KMT2AGAARAB9A
SCHEMBL2705330 0.83 PTGS2 (0.43) PTGS2MAPTMEN1KMT2AGAA

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 8 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-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 KDR 4230/4885PTGS2 3352/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KDR 4230/4885PTGS2 3352/4885MAPT 2207/4885

“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.