SCHEMBL14728667

SCHEMBL14728667

N#Cc1c2c(c(N3CCC(C#N)CC3)n3c1nc1ccccc13)CCCCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.66
CASP1 P29466 5/20 0.66
TSHR P16473 4/20 0.66
CASP7 P55210 3/20 0.66
MAPK1 P28482 2/20 0.66
PKM P14618 2/20 0.66
ALOX12 P18054 1/20 0.66
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
NPSR1 Q6W5P4 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ATM Q13315 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HIF1A Q16665 2/20 0.60
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL14728353 0.97 MAPK1 (0.70) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728546 0.87 MAPK1 (0.55) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728219 0.87 MAPK1 (0.77) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728215 0.86 MAPK1 (0.70) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728394 0.86 MAPK1 (0.54) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728390 0.86 MAPK1 (0.63) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728567 0.85 KDM4E (0.59) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728331 0.85 KDM4E (0.68) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728533 0.84 MAPK1 (0.52) KDM4ECASP1TSHRCASP7MAPK1
SCHEMBL14728496 0.84 MAPK1 (0.52) KDM4ECASP1TSHRCASP7MAPK1

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 KDM4E 586/4885CASP1 2732/4885TSHR 3031/4885

“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.