SCHEMBL12499

SCHEMBL12499

CC(C)(C)OC(=O)N(N)c1ccc(C(C)(C)N2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 4/20 0.38
MLYCD O95822 5/20 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
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL12544 0.84 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMLYCDALDH1A1TSHR
SCHEMBL12677 0.82 F10 (0.41) SMN1; SMN2USP2RAB9AMLYCDCTSD
SCHEMBL24188776 0.79 HIF1A (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL2529611 0.78 MT-CO2 (0.42) RAB9ANPC1KDM4EMAPT
SCHEMBL12449798 0.77 CYP2B6 (0.39) SMN1; SMN2RAB9AMLYCDALDH1A1TSHR
SCHEMBL978357 0.75 MAPT (0.44) SMN1; SMN2RAB9AALDH1A1TSHRMAPK1
SCHEMBL12522589 0.75 F10 (0.40) SMN1; SMN2USP2CTSDCTSLCTSB
SCHEMBL272401 0.74 KIF11 (0.40) ALDH1A1GPR119LMNAMAPT
SCHEMBL18650042 0.73 TP53 (0.44) SMN1; SMN2RAB9AMLYCDALDH1A1TSHR
SCHEMBL2086451 0.73 KMO (0.47) SMN1; SMN2RAB9AGPR119MAPT

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 SMN1; SMN2 2692/4885USP2 4237/4885RAB9A 1288/4885

“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.