SCHEMBL15942805

SCHEMBL15942805

Cc1ccc2c(C#N)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.51
ERBB2 P04626 1/20 0.41
TTK P33981 1/20 0.38
MAPK1 P28482 2/20 0.38
MAP2K4 P45985 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
KIF11 P52732 1/20 0.38
LRRK2 Q5S007 2/20 0.38
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
NTRK1 P04629 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAP2K7 O14733 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
SCHEMBL29937465 1.00 ITK (0.51) ITKERBB2TTKMAPK1MAP2K4
SCHEMBL14818880 0.86 MAP2K4 (0.49) ITKERBB2MAPK1MAP2K4MAPKAPK2
SCHEMBL15312579 0.82 ITK (0.46) ITKMAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL16252839 0.79 MAP2K4 (0.51) ITKERBB2MAPK1MAP2K4MAPKAPK2
SCHEMBL11977413 0.79 PDPK1 (0.58) ERBB2TTKMAPK1
SCHEMBL30224844 0.79 PDPK1 (0.58) ERBB2TTKMAPK1
SCHEMBL31621168 0.79 MAP2K4 (0.44) ERBB2MAP2K4USP8USP7
SCHEMBL9980415 0.79 MAP2K4 (0.44) ERBB2MAP2K4USP8USP7
SCHEMBL13554365 0.78 KIF11 (0.42) ITKTTKMAPK1MAP2K4KIF11
SCHEMBL4013912 0.78 NTRK1 (0.44) ITKMAP2K4LRRK2USP8NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 EP disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 US disclosed
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-04-23 US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 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 (3 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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ITK 4592/4885ERBB2 2928/4885TTK 3285/4885
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ITK 4592/4885ERBB2 2928/4885TTK 3285/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ITK 4566/4885ERBB2 3085/4885TTK 3183/4885

“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.