SCHEMBL13623614

SCHEMBL13623614

CCOC(OCC)C(=O)c1ccc(C)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
CHRM1 P11229 1/20 0.40
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
KCNQ5 Q9NR82 1/20 0.40
MTOR P42345 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL29420348 0.83 SLC6A4 (0.40) HDAC1HDAC6LMNAALDH1A1HTT
SCHEMBL837092 0.83 SLC6A4 (0.40) HDAC1HDAC6LMNAALDH1A1HTT
SCHEMBL10628840 0.81 HDAC1 (0.47) HDAC1HDAC6LMNAALDH1A1HTT
SCHEMBL838263 0.79 KDM4E (0.43) LMNAALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL11362698 0.78 CA12 (0.42) LMNAALDH1A1HTTKMT2AMAPT
SCHEMBL603415 0.78 CA12 (0.59) HDAC1HDAC6LMNAALDH1A1HTT
SCHEMBL16689552 0.78 HDAC1 (0.58) HDAC1HDAC6LMNAALDH1A1HTT
SCHEMBL837583 0.78 SLC6A2 (0.46) HDAC1LMNAALDH1A1CES2CES1
SCHEMBL9160725 0.75 ALDH1A1 (0.46) LMNAALDH1A1HTTCES2CES1
SCHEMBL9720643 0.74 HDAC1 (0.58) HDAC1HDAC6LMNAALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258800-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME INCYTE HOLDINGS CORPORATION 2017-09-14 US disclosed
US-20150148348-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME INCYTE CORPORATION 2015-05-28 US disclosed
US-8901123-B2 Salts of 2-fluoro-N-methyl-4-[7-(quinolin-6-yl-methyl)-imidazo[1,2-B][1,2,4]triazin-2-yl]benzamide and processes related to preparing the same INCYTE CORPORATION (US) 2014-12-02 US disclosed
US-20130289036-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME INCYTE CORPORATION 2013-10-31 US disclosed
US-8420645-B2 Salts of 2-fluoro-N-methyl-4-[7-(quinolin-6-yl-methyl)-imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide and processes related to preparing the same INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-20090291956-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-b][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME INCYTE CORPORATION 2009-11-26 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 (4 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-20150148348-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME ABL1, MET, ABL2 HDAC1 1442/4885HDAC6 499/4885LMNA 3566/4885
US-20130289036-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME ABL1, MET, ABL2 HDAC1 1442/4885HDAC6 499/4885LMNA 3566/4885
US-20090291956-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-b][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME ABL1, MET, ABL2 HDAC1 1442/4885HDAC6 499/4885LMNA 3566/4885
US-20170258800-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME ABL1, MET, ABL2 HDAC1 1442/4885HDAC6 499/4885LMNA 3566/4885

“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.