SCHEMBL15879005

SCHEMBL15879005

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 8/20 0.50
LIPE Q05469 1/20 0.47
EPAS1 Q99814 1/20 0.45
BTK Q06187 3/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
FBP1 P09467 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL14654132 0.91 SORT1 (0.47) SORT1LIPEEPAS1BTKALDH1A1
SCHEMBL14654097 0.90 SORT1 (0.47) SORT1LIPEEPAS1BTKGAA
SCHEMBL25421609 0.88 SORT1 (0.45) SORT1LIPEEPAS1BTKGAA
SCHEMBL29537527 0.87 CA1 (0.47) SORT1LIPEEPAS1BTKGRM5
SCHEMBL14630437 0.87 CA1 (0.47) SORT1LIPEEPAS1BTKGRM5
SCHEMBL18825302 0.87 SORT1 (0.45) SORT1LIPEEPAS1BTKGAA
SCHEMBL60104 0.85 KDR (0.47) EPAS1GAAALDH1A1L3MBTL1BRAF
SCHEMBL15878263 0.83 LIPE (0.48) SORT1LIPEEPAS1BTKGAA
SCHEMBL15877976 0.83 SORT1 (0.42) SORT1LIPEEPAS1BTKGAA
SCHEMBL15878544 0.82 BTK (0.40) SORT1LIPEBTKBRAFGRM5

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
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 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-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN SORT1 4460/4885LIPE 3810/4885EPAS1 3656/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN SORT1 4460/4885LIPE 3810/4885EPAS1 3656/4885

“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.