SCHEMBL12524

SCHEMBL12524

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MT-CO2 P00403 1/20 0.34
F10 P00742 1/20 0.33
AOC3 Q16853 1/20 0.33
PAX8 Q06710 1/20 0.33
LMNA P02545 3/20 0.33
NR1H3 Q13133 2/20 0.32
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2529611 0.83 MT-CO2 (0.42) MT-CO2PAX8RAB9AKDM4ENPC1
SCHEMBL12276063 0.82 NR1H4 (0.35) CYP1A2CYP2D6CYP2C19F10AOC3
SCHEMBL977449 0.80 ALDH1A1 (0.42) MT-CO2PAX8RAB9ANPSR1MEN1
SCHEMBL272401 0.79 KIF11 (0.40) MT-CO2LMNANR1H3RXRANR1H2
SCHEMBL14740850 0.79 MT-CO2 (0.38) MT-CO2PAX8RAB9AKDM4ENPC1
SCHEMBL3410365 0.77 MT-CO2 (0.39) MT-CO2PAX8LMNARAB9AKMT2A
SCHEMBL12219494 0.76 LOXL2 (0.41) MT-CO2PAX8NR1H2SMN1; SMN2KDM4E
SCHEMBL14740797 0.75 RAB9A (0.41) CYP2D6CYP2C19MT-CO2PAX8LMNA
SCHEMBL273986 0.75 MEN1 (0.39) MT-CO2PAX8RAB9AMEN1KMT2A
SCHEMBL551649 0.75 MT-CO2 (0.53) CYP1A2CYP2D6CYP2C19MT-CO2LMNA

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 CYP1A2 1663/4885CYP2D6 3472/4885CYP2C19 1822/4885

“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.