SCHEMBL13100451

SCHEMBL13100451

Ic1ccc2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
DHFR P00374 1/20 0.54
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
PNMT P11086 1/20 0.48
C5AR1 P21730 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD4 P21917 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HSP90AB1 P08238 1/20 0.44
CLPP Q16740 1/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL29883119 0.84 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL1038680 0.84 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL30474239 0.83 KMT2A (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL16220609 0.83 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL12706737 0.83 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL5777297 0.83 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2907160 0.82 KMT2A (0.57) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL17984056 0.82 KMT2A (0.60) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL5776313 0.81 MEN1 (0.53) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL5776892 0.81 MEN1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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-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.