SCHEMBL13401263

SCHEMBL13401263

COc1ccc(CNN)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NNMT P40261 1/20 0.43
NAMPT P43490 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM4 P08173 1/20 0.42
MLLT1 Q03111 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3488315 0.85 NAMPT (0.46) KDM1AMAOAMAOBNNMTNAMPT
SCHEMBL30471820 0.83 KDM1A (0.51) KDM1AMAOAMAOBNNMTNAMPT
SCHEMBL178395 0.83 KDM1A (0.51) KDM1AMAOAMAOBNNMTNAMPT
SCHEMBL20775012 0.81 KDM1A (0.50) KDM1AMAOAMAOBNNMTNAMPT
SCHEMBL29196394 0.81 KDM1A (0.50) KDM1AMAOAMAOBNNMTNAMPT
SCHEMBL6047215 0.80 KDM1A (0.49) KDM1AMAOAMAOBNAMPTCYP2C9
SCHEMBL14867655 0.80 KDM1A (0.49) KDM1AMAOAMAOBNAMPTCYP2C9
SCHEMBL10484172 0.80 KDM1A (0.46) KDM1AMAOAMAOBNNMTNAMPT
SCHEMBL104956 0.79 CD274 (0.51) KDM1AMAOAMAOBNAMPTCYP2C9
SCHEMBL1146238 0.79 LOXL2 (0.53) KDM1AMAOAMAOBNNMTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 KDM1A 3668/4885MAOA 2905/4885MAOB 2703/4885

“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.