SCHEMBL14728527

SCHEMBL14728527

CC1(C)CCc2c(c(N3CCOCC3)n3c(nc4ccccc43)c2C#N)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
ALOX12 P18054 1/20 0.54
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GLA P06280 4/20 0.54
GAA P10253 4/20 0.54
KDM4E B2RXH2 9/20 0.52
CASP1 P29466 8/20 0.52
TSHR P16473 6/20 0.52
CASP7 P55210 5/20 0.52
PKM P14618 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 8/20 0.50
NPSR1 Q6W5P4 4/20 0.50
HPGD P15428 4/20 0.50
POLB P06746 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL14728518 0.92 ALDH1A1 (0.55) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728528 0.91 MAPK1 (0.59) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728525 0.89 MAPK1 (0.54) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728533 0.87 MAPK1 (0.52) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728574 0.86 KDM4E (0.57) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728610 0.84 MAPK1 (0.47) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728531 0.83 KDM4E (0.49) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728517 0.83 NPSR1 (0.58) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728312 0.82 MAPK1 (0.68) MAPK1ALOX12ALDH1A1MEN1KMT2A
SCHEMBL14728346 0.81 MAPK1 (0.59) MAPK1ALOX12ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 US disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 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-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE PDE4B, PDE4A, PDE4C MAPK1 1029/4885ALOX12 4494/4885ALDH1A1 1070/4885

“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.