SCHEMBL17338752

SCHEMBL17338752

Brc1ccc2ncc(C3CC3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
MAP3K14 Q99558 1/20 0.42
FLT3 P36888 2/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
ADORA2A P29274 1/20 0.38
TRIM24 O15164 3/20 0.38
TRIM33 Q9UPN9 2/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.36
DYRK1A Q13627 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL7545748 0.77 GPR119 (0.45) MEN1KMT2A
SCHEMBL20049608 0.75 USP30 (0.42) TGFBR1FLT3DYRK1AAURKAJAK2
SCHEMBL14145461 0.74 PIK3CA (0.39) MAP3K14FLT3PIK3CAMTORTSHR
SCHEMBL3029604 0.74 MAP3K14 (0.49) MAP3K14FLT3PIK3CAMTORTSHR
SCHEMBL31425979 0.73 CRBN (0.43)
SCHEMBL17338977 0.73 TGFBR1 (0.39) TGFBR1DYRK1A
SCHEMBL3846282 0.72 MAP3K14 (0.43) MAP3K14FLT3PIK3CAMTORTSHR
SCHEMBL3849684 0.71 RAB9A (0.48) MAP3K14FLT3PIK3CAMTORALDH1A1
SCHEMBL3846180 0.71 ALDH1A1 (0.44) MAP3K14FLT3PIK3CAMTORADORA2A
SCHEMBL13874226 0.71 MAP3K14 (0.36) MAP3K14FLT3PIK3CAMTORTSHR

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
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-10-16 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 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 (2 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-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA TGFBR1 556/4885MAP3K14 412/4885FLT3 552/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA TGFBR1 556/4885MAP3K14 412/4885FLT3 552/4885

“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.