SCHEMBL2359438

SCHEMBL2359438

COc1ccc(Cn2cnc(N)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP19A1 P11511 2/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12597205 0.82 ALDH1A1 (0.50) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL30992851 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL2275411 0.81 SMN1; SMN2 (0.44) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL16014518 0.81 HDAC1 (0.55) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL29501229 0.80 CYP11B1 (0.44)
SCHEMBL2273175 0.80 POLB (0.44) KMT2AMEN1L3MBTL1MAPTCYP19A1
SCHEMBL2276464 0.78 LMNA (0.50) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL28384711 0.78 PTGS2 (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL17926742 0.78 IDO1 (0.44) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL2360983 0.78 CYP19A1 (0.47) L3MBTL1KDM4EMAPTCYP2D6CYP19A1

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
CN-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 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 (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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP KMT2A 2393/4885MEN1 3151/4885L3MBTL1 1473/4885

“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.