SCHEMBL16630273

SCHEMBL16630273

C#Cc1ccnn1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
FAAH O00519 1/20 0.38
ELANE P08246 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.35
GPR119 Q8TDV5 3/20 0.33
GRM5 P41594 1/20 0.33
SCD O00767 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL693588 0.78 FAAH (0.41) FAAHELANEBCHEPOLBGPR119
SCHEMBL1864917 0.77 FAAH (0.40) FAAHELANEBCHEPOLBGPR119
SCHEMBL22951279 0.77 FAAH (0.40) FAAHELANEBCHEPOLBGPR119
SCHEMBL22501848 0.77 ELANE (0.44) FAAHELANEBCHEPOLBGPR119
SCHEMBL28739878 0.75 ELANE (0.42) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL22233152 0.75 FAAH (0.39) FAAHELANEBCHEPOLBGPR119
SCHEMBL6292251 0.75 CYP17A1 (0.40) FAAHELANEPTPN2PTPN1PTPN6
SCHEMBL30879097 0.74 FAAH (0.41) FAAHELANEBCHEPOLBGPR119
SCHEMBL362915 0.74 FAAH (0.38) FAAHELANEBCHEPOLBGPR119
SCHEMBL692934 0.73 FAAH (0.40) FAAHELANEBCHEPOLBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
WO-2015143012-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS INFINITY PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
WO-2015051244-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 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 (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-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRG2 3291/4885GABRB3 2950/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRG2 3291/4885GABRB3 2950/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRG2 3291/4885GABRB3 2950/4885

“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.