SCHEMBL247318

SCHEMBL247318

COc1cc(N)c(-c2cnc(Cl)cc2N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.37
DHFR P00374 1/20 0.35
EGFR P00533 1/20 0.33
FYN P06241 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
TDO2 P48775 1/20 0.32
FGFR1 P11362 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL247317 0.82 KCNH2 (0.47) NNMTFYNPIK3CDPIK3CAPIK3CB
SCHEMBL247986 0.81 DYRK1A (0.45) LOXLOXL2
SCHEMBL30756437 0.79 MAPT (0.38) MEN1ALDH1A1KMT2A
SCHEMBL28174162 0.78 G6PD (0.40) EGFRLOXLOXL2NPC1PIK3CD
SCHEMBL6686702 0.77 NPC1 (0.45) NNMTEGFRSIRT6LOXLOXL2
SCHEMBL442333 0.77 HSP90AA1 (0.52) GAATDP1KDM4EALDH1A1KMT2A
SCHEMBL248398 0.76 DHFR (0.37) DHFRFYNGAANPC1KCNH2
Hydrochloric Acid SCHEMBL21711336 0.76 NPC1 (0.44) NNMTEGFRSIRT6LOXLOXL2
SCHEMBL29713548 0.74 NNMT (0.44) NNMTEGFRFYNSIRT6LOX
SCHEMBL706595 0.74 NNMT (0.44) NNMTEGFRFYNSIRT6LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NNMT 2157/4885DHFR 3632/4885EGFR 822/4885

“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.