SCHEMBL2913559

SCHEMBL2913559

c1ccc(CN2CCc3nc(N4CCCC4)ccc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
DHFR P00374 1/20 0.51
CASP1 P29466 1/20 0.50
CASP5 P51878 1/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45

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
SCHEMBL17984887 0.99 MEN1 (0.56) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL5774088 0.90 MEN1 (0.55) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2913307 0.89 TMEM97 (0.60) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL17985354 0.87 MEN1 (0.52) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL29883119 0.81 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL1038680 0.81 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL32660186 0.81 NPC1 (0.52) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL13100451 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL12706737 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL16220609 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 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 (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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C MEN1 4418/4885KMT2A 3157/4885NPC1 4503/4885

“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.