SCHEMBL247986

SCHEMBL247986

COc1cc(-c2cnc(Cl)cc2N)ccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.45
ACVR2A P27037 10/20 0.44
TGFBR2 P37173 10/20 0.44
TGFBR1 P36897 4/20 0.41
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
GRM2 Q14416 1/20 0.40
SCN9A Q15858 1/20 0.39
CNR1 P21554 1/20 0.38
CYP19A1 P11511 1/20 0.38
RORB Q92753 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL247318 0.81 NNMT (0.37) LOXLOXL2
SCHEMBL23674568 0.81 CNR1 (0.44) DYRK1AACVR2ATGFBR2TGFBR1LOX
SCHEMBL30042422 0.81 CNR1 (0.44) DYRK1AACVR2ATGFBR2TGFBR1LOX
SCHEMBL247317 0.81 KCNH2 (0.47)
SCHEMBL30995101 0.78 CNR1 (0.47) DYRK1AACVR2ATGFBR2TGFBR1LOX
SCHEMBL30042149 0.77 DYRK1A (0.45) DYRK1AACVR2ATGFBR2TGFBR1LOX
SCHEMBL23674415 0.77 DYRK1A (0.45) DYRK1AACVR2ATGFBR2TGFBR1LOX
SCHEMBL27855773 0.77 ADORA2A (0.56) DYRK1A
SCHEMBL30042559 0.75 IDO1 (0.48) DYRK1AACVR2ATGFBR2TGFBR1LOX
SCHEMBL30756437 0.75 MAPT (0.38)

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 6 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
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US 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
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 DYRK1A 2045/4885ACVR2A 2401/4885TGFBR2 3410/4885

“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.