SCHEMBL12544

SCHEMBL12544

CC(C)(c1ccc(N(N)C(=O)O)cc1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MLYCD O95822 6/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2B6 P20813 1/20 0.37
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL12499 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MLYCDALDH1A1KMT2ARAB9A
SCHEMBL12449798 0.81 CYP2B6 (0.39) SMN1; SMN2MLYCDALDH1A1KMT2ARAB9A
SCHEMBL12276222 0.80 LMNA (0.42) SMN1; SMN2MLYCDALDH1A1KMT2APIK3CD
SCHEMBL18650042 0.77 TP53 (0.44) SMN1; SMN2MLYCDALDH1A1KMT2ARAB9A
SCHEMBL23040130 0.75 MAPT (0.50) SMN1; SMN2MLYCDALDH1A1KMT2ARAB9A
SCHEMBL2696963 0.73 CYP2B6 (0.66) SMN1; SMN2ALDH1A1KMT2ACYP2B6PIK3CD
SCHEMBL12449606 0.73 SIGMAR1 (0.50) SMN1; SMN2ALDH1A1KMT2ARAB9ATSHR
SCHEMBL8354801 0.72 CYP2B6 (0.44) SMN1; SMN2ALDH1A1KMT2ARAB9ATSHR
SCHEMBL29515244 0.71 HRH3 (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL25168576 0.71 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ARAB9ATSHR

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
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
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP 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 2692/4885MLYCD 1600/4885ALDH1A1 3185/4885

“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.