SCHEMBL2340705

SCHEMBL2340705

CC(C)(C)N(Cc1ccccc1N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FDPS P14324 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK1 Q13546 2/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1799391 0.83 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1KDM4E
SCHEMBL3540880 0.81 MEN1 (0.42) MEN1KMT2AHTTL3MBTL1KDM4E
SCHEMBL3461483 0.81 AKR1B1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5514821 0.80 KMT2A (0.48) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.78 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1845830 0.78 MEN1 (0.52) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL5913093 0.78 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1KDM4E
SCHEMBL20494540 0.77 NPC1 (0.46) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL1843562 0.76 MEN1 (0.43) MEN1KMT2AHTTL3MBTL1KDM4E
SCHEMBL2959560 0.76 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
EP-3077394-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-10-12 EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
WO-2015082411-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-11 WO disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 MEN1 2586/4885KMT2A 771/4885HTT 1421/4885
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 MEN1 2656/4885KMT2A 2508/4885HTT 2877/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 MEN1 2630/4885KMT2A 2476/4885HTT 2873/4885

“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.