SCHEMBL12677

SCHEMBL12677

CC(C)(C)OC(=O)N(N)c1ccc(C(C)(C)CN2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
CD274 Q9NZQ7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
LMNA P02545 1/20 0.37
CTSD P07339 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL12276222 0.85 LMNA (0.42) F10MEN1KMT2AHIF1AEPAS1
SCHEMBL24188776 0.83 HIF1A (0.48) KMT2AHIF1AEPAS1SMN1; SMN2
SCHEMBL12499 0.82 SMN1; SMN2 (0.38) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL12522589 0.79 F10 (0.40) F10CD274MEN1KMT2APIK3CD
SCHEMBL12449799 0.79 SIGMAR1 (0.40) F10MEN1KMT2AHIF1AEPAS1
SCHEMBL12524 0.75 CYP1A2 (0.34) F10MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2529611 0.75 MT-CO2 (0.42) MAPTRAB9A
SCHEMBL201588 0.72 SHBG (0.46) F10MEN1KMT2APIK3CDPIK3R2
SCHEMBL201587 0.72 SIGMAR1 (0.44) F10CD274MEN1KMT2APIK3CD
SCHEMBL14321356 0.72 CD274 (0.45) F10CD274MEN1KMT2APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA F10 4533/4885CD274 1128/4885MEN1 1024/4885

“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.