SCHEMBL16375394

SCHEMBL16375394

CNc1cccc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
HSD11B1 P28845 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP11B2 P19099 1/20 0.43
KIF11 P52732 2/20 0.43
MMP3 P08254 1/20 0.42
KAT6A Q92794 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
APP P05067 1/20 0.41
MARK3 P27448 1/20 0.41
GSK3A P49840 1/20 0.41
ACLY P53396 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
SCHEMBL28488286 0.84 TSHR (0.48) CYP11B2KIF11MEN1MAPTKMT2A
SCHEMBL17683703 0.82 ADORA2A (0.49) MEN1ALDH1A1KMT2AHRH3APP
SCHEMBL19719159 0.81 SYK (0.48) SYKABCB1ABCG2SLC6A2SLC6A4
SCHEMBL20615103 0.81 ABCB1 (0.48) SYKABCB1ABCG2HSD11B1SLC6A2
SCHEMBL13006754 0.81 MMP3 (0.52) ABCB1ABCG2HSD11B1CYP11B2KIF11
SCHEMBL22507033 0.80 MMP3 (0.56) SLC6A2SLC6A4SLC6A3CYP11B2KIF11
SCHEMBL361389 0.79 MAPT (0.53) SYKABCG2MEN1ALDH1A1MAPT
SCHEMBL1038467 0.78 TSHR (0.59) SYKMEN1ALDH1A1KMT2A
SCHEMBL30288275 0.78 TSHR (0.59) SYKMEN1ALDH1A1KMT2A
SCHEMBL19233947 0.78 EGLN2 (0.44) SYKABCB1ABCG2CYP11B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9844535-B2 SHP2 inhibitors and methods of treating autoimmune and/or glomerulonephritis-associated diseases using SHP2 inhibitors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-12-19 US disclosed
US-9522881-B2 Hydroxyindole carboxylic acid based inhibitors for oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-20 US disclosed
US-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-04-14 US disclosed
WO-2015003094-A2 SHP2 INHIBITORS AND METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2015-01-08 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 (1 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-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) SRC, PTPRCAP, PTPRJ SYK 82/4885ABCB1 4425/4885ABCG2 2397/4885

“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.