SCHEMBL4471691

SCHEMBL4471691

CN(Cc1ccccc1)CC(C)(C)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
RIPK1 Q13546 2/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43

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
SCHEMBL19742676 0.83 AKT1 (0.54) NPC1RAB9ABCHEACHERIPK1
SCHEMBL4730794 0.78 RIPK1 (0.53) NPC1RAB9ABCHEACHERIPK1
SCHEMBL5948337 0.77 CYP3A4 (0.67) NPC1RAB9ARIPK1ALDH1A1RECQL
SCHEMBL19742665 0.77 RIPK1 (0.64) NPC1RAB9ARIPK1CA12CA9
SCHEMBL9281673 0.76 ALDH1A1 (0.54) NPC1RAB9ARIPK1CA12CA9
SCHEMBL6542174 0.75 KDM4E (0.39) NPC1RAB9ARIPK1CA12CA9
SCHEMBL27629539 0.74 CARM1 (0.47) NPC1RAB9ARIPK1CA12CA9
SCHEMBL7270829 0.74 CARM1 (0.47) NPC1RAB9ARIPK1CA12CA9
SCHEMBL4154050 0.73 CTRB1 (0.48) NPC1RAB9ABCHEACHETMEM97
SCHEMBL24926944 0.73 ALDH1A1 (0.50) NPC1RAB9ARIPK1SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US disclosed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 NPC1 4261/4885RAB9A 3927/4885BCHE 3873/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 NPC1 4261/4885RAB9A 3927/4885BCHE 3873/4885
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 NPC1 2323/4885RAB9A 4077/4885BCHE 72/4885

“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.