SCHEMBL14728517

SCHEMBL14728517

CC1(C)Cc2c(c(N3CCCC3)n3c(nc4ccccc43)c2C#N)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.58
MAPK1 P28482 2/20 0.58
ALOX12 P18054 1/20 0.58
KDM4E B2RXH2 5/20 0.56
CASP1 P29466 5/20 0.56
TSHR P16473 4/20 0.56
CASP7 P55210 3/20 0.56
PKM P14618 1/20 0.56
HIF1A Q16665 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RXFP1 Q9HBX9 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL14728528 0.92 MAPK1 (0.59) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728518 0.90 ALDH1A1 (0.55) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728515 0.90 MAPK1 (0.52) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728524 0.89 MAPK1 (0.51) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728573 0.87 PDE4B (0.56) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728521 0.84 PDE4B (0.51) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728608 0.83 MAPK1 (0.46) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728219 0.83 MAPK1 (0.77) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728527 0.83 MAPK1 (0.54) NPSR1MAPK1ALOX12KDM4ECASP1
SCHEMBL14728525 0.83 MAPK1 (0.54) NPSR1MAPK1ALOX12KDM4ECASP1

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 NPSR1 2690/4885MAPK1 1029/4885ALOX12 4494/4885

“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.