SCHEMBL3768686

SCHEMBL3768686

Cc1nc(-c2cnc3ccc(Br)cn23)no1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.48
PIK3CA P42336 5/20 0.48
MTOR P42345 3/20 0.48
PIK3CB P42338 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
NTRK1 P04629 2/20 0.42
PIM1 P11309 2/20 0.42
FLT3 P36888 1/20 0.40
EIF2AK4 Q9P2K8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
TGFBR1 P36897 2/20 0.35
PSD A5PKW4 1/20 0.35
AHR P35869 1/20 0.34
TRIM33 Q9UPN9 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
SCHEMBL13891588 0.83 PIK3CA (0.48) PIK3CAMTORPIK3CBCDK19NTRK1
SCHEMBL12998313 0.83 PIK3CA (0.48) PIK3CAMTORPIK3CBCDK19NTRK1
SCHEMBL19586824 0.83 MAP3K14 (0.45) MAP3K14PIK3CAMTORPIK3CBCDK19
SCHEMBL3851193 0.83 MAP3K14 (0.48) MAP3K14PIK3CAMTORPIK3CBCDK19
SCHEMBL3847433 0.83 PIK3CA (0.51) MAP3K14PIK3CAMTORPIK3CBCDK19
SCHEMBL3847032 0.83 MAP3K14 (0.45) MAP3K14PIK3CAMTORPIK3CBCDK19
SCHEMBL3849418 0.81 NR1H4 (0.52) MAP3K14PIK3CAMTORPIK3CBCDK19
SCHEMBL3848399 0.81 MAP3K14 (0.43) MAP3K14PIK3CAMTORPIK3CBCDK19
SCHEMBL3849684 0.80 RAB9A (0.48) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3846525 0.80 MAP3K14 (0.48) MAP3K14PIK3CAMTORPIK3CBCDK19

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
US-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-12-09 US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS PIKFYVE, JAK3, PI4KA MAP3K14 56/4885PIK3CA 15/4885MTOR 190/4885

“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.