SCHEMBL1422968

SCHEMBL1422968

O=C(O)c1nc2c(s1)C1CCC2CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FABP4 P15090 3/20 0.32
FABP5 Q01469 3/20 0.32
GPR35 Q9HC97 1/20 0.30
GLS O94925 2/20 0.30

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
SCHEMBL15160559 0.66 HCAR2 (0.35) HCAR2SMN1; SMN2
SCHEMBL2405564 0.64 L3MBTL1 (0.38) HCAR2L3MBTL1GAASMN1; SMN2HSD17B10
SCHEMBL11983385 0.63
Hydrochloric Acid SCHEMBL9122394 0.63 L3MBTL1 (0.63) L3MBTL1USP2GAASMN1; SMN2HSD17B10
SCHEMBL30281210 0.63 ALDH1A1 (0.44) HCAR2HSD17B10
SCHEMBL12044711 0.63 GAA (0.35) USP2GAAMAPTALOX15GFER
SCHEMBL12862731 0.62 PDK1 (0.33)
SCHEMBL2169300 0.62 TSHR (0.33) HCAR2ALOX15GPR35
SCHEMBL8840169 0.61 ALDH1A1 (0.50) GFERSMN1; SMN2HSD17B10
SCHEMBL12035804 0.61 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 EP disclosed
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 EP disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
EP-2297105-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 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-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 HCAR2 2363/4885L3MBTL1 3410/4885USP2 2858/4885

“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.