SCHEMBL14728701

SCHEMBL14728701

N#Cc1c2c(c(N3CCC(CF)CC3)n3c1nc1ccccc13)CSCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
CASP1 P29466 6/20 0.52
CASP7 P55210 4/20 0.52
MAPK1 P28482 3/20 0.52
TSHR P16473 3/20 0.52
PKM P14618 1/20 0.52
ALOX12 P18054 1/20 0.52
HIF1A Q16665 2/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RXFP1 Q9HBX9 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 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
SCHEMBL14728399 0.91 KDM4E (0.57) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728394 0.88 MAPK1 (0.54) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728670 0.88 MAPK1 (0.66) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728485 0.86 MAPK1 (0.61) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728407 0.84 KDM4E (0.51) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728343 0.84 MAPK1 (0.56) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728340 0.84 MAPK1 (0.56) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728628 0.82 MAPK1 (0.61) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728698 0.82 PDE4B (0.46) KDM4ECASP1CASP7MAPK1TSHR
SCHEMBL14728445 0.81 MAPK1 (0.55) KDM4ECASP1CASP7MAPK1TSHR

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 2732/4885CASP7 3174/4885

“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.