SCHEMBL3397667

SCHEMBL3397667

CC(C)(C)N(CCI)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3399507 0.86 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1003534 0.83 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17457130 0.80 BLM (0.34)
SCHEMBL25687679 0.79 KDM4E (0.32) LMNAALDH1A1
SCHEMBL319857 0.78 MEN1 (0.35) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL332512 0.78 CA12 (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL24101 0.76 MEN1 (0.34) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL246225 0.76 MEN1 (0.34) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL641554 0.76 MEN1 (0.34) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL10384650 0.76 MEN1 (0.34) MEN1KMT2AHTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
EP-2245023-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-12-28 EP disclosed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
CN-101910145-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2010-12-08 CN disclosed
EP-2245023-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009101022-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 US 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 (3 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 MEN1 2274/4885KMT2A 1154/4885HTT 3893/4885
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MEN1 3983/4885KMT2A 1390/4885HTT 4367/4885
US-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 MEN1 4756/4885KMT2A 3411/4885HTT 3139/4885

“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.