SCHEMBL432884

SCHEMBL432884

O=C(CCl)NC(CO)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.50
ROCK2 O75116 5/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CNR2 P34972 1/20 0.48
LMNA P02545 2/20 0.48
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPK10 P53779 1/20 0.43
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL31037005 0.85 ROCK1 (0.50) ROCK1ROCK2CNR2HDAC4HDAC7
SCHEMBL18162818 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL26673268 0.84 ALDH1A1 (0.43) ROCK1ROCK2ALDH1A1SMN1; SMN2HTT
SCHEMBL1273411 0.84 ALDH1A1 (0.43) ROCK1ROCK2ALDH1A1SMN1; SMN2HTT
SCHEMBL23100732 0.83 ROCK1 (0.53) ROCK1ROCK2CNR2HDAC4HDAC7
SCHEMBL3585946 0.83 ROCK1 (0.53) ROCK1ROCK2CNR2HDAC4HDAC7
SCHEMBL14393867 0.82 ROCK1 (0.52) ROCK1ROCK2CNR2HDAC4HDAC7
SCHEMBL14393694 0.82 ROCK1 (0.52) ROCK1ROCK2CNR2HDAC4HDAC7
SCHEMBL18162789 0.82 KCNQ3 (0.49) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL3401623 0.81 ALDH1A1 (0.71) ROCK1ROCK2ALDH1A1SMN1; SMN2HTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-2300469-B1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-06-24 EP disclosed
CN-102056927-B Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC 2014-06-25 CN disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
EP-2300469-A2 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-03-30 EP disclosed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO 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 (5 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-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS ALK, ROS1, FLT3 ROCK1 358/4885ROCK2 485/4885ALDH1A1 3509/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K ROCK1 600/4885ROCK2 722/4885ALDH1A1 4129/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ROCK1 2117/4885ROCK2 2305/4885ALDH1A1 1896/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ROCK1 2117/4885ROCK2 2305/4885ALDH1A1 1896/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ROCK1 2117/4885ROCK2 2305/4885ALDH1A1 1896/4885

“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.