SCHEMBL3340254

SCHEMBL3340254

Cc1cn(-c2ccc(C)c(C(N)=O)c2)nn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MIF P14174 1/20 0.40
ESRRA P11474 4/20 0.40
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
APP P05067 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
DDT P30046 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
SCHEMBL3346206 0.77 KAT6A (0.46) NPC1RAB9ASMN1; SMN2SIRT3TDP1
SCHEMBL3340257 0.76 KDM4E (0.49) NOTUMNPC1RAB9ASMN1; SMN2MIF
SCHEMBL25092487 0.76 NOTUM (0.50) NOTUMNPC1RAB9ASMN1; SMN2MIF
SCHEMBL3343037 0.73 PDE4A (0.44) SIRT3TDP1MAOAMAOB
SCHEMBL3346133 0.73 SIRT3 (0.38) NOTUMSIRT3TDP1ALDH1A1KMT2A
SCHEMBL3342457 0.73 LRRK2 (0.47) NOTUMSIRT3TDP1ALDH1A1KDM4E
SCHEMBL29132957 0.73 NOTUM (0.46) NOTUMESRRAALDH1A1KDM4EKMT2A
SCHEMBL31226939 0.72 KMT2A (0.43) NOTUMNPC1RAB9ASMN1; SMN2MIF
SCHEMBL3344595 0.72 L3MBTL1 (0.47) SMN1; SMN2SIRT3TDP1ALDH1A1KDM4E
SCHEMBL31227373 0.71 KMT2A (0.44) NOTUMNPC1RAB9ASMN1; SMN2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 NOTUM 4864/4885NPC1 1906/4885RAB9A 1850/4885

“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.