SCHEMBL17954168

SCHEMBL17954168

Cc1ccc(CN2CCN(C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
STAT3 P40763 2/20 0.49
PRKAB2 O43741 2/20 0.48
PRKAG1 P54619 2/20 0.48
PRKAA2 P54646 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAG3 Q9UGI9 2/20 0.48
PRKAG2 Q9UGJ0 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
MAPK14 Q16539 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 1/20 0.45
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL17938670 0.91 GPR183 (0.52) STAT3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17109276 0.85 STAT3 (0.53) ALDH1A1KDM4EPOLBSTAT3PRKAB2
SCHEMBL17938673 0.83 SMN1; SMN2 (0.52) ALDH1A1KDM4ESTAT3PRKAB2PRKAG1
SCHEMBL20765490 0.82 MAPK14 (0.54) ALDH1A1KDM4EPOLBMAPK14NPC1
SCHEMBL1063883 0.79 L3MBTL1 (0.56) ALDH1A1KDM4EPOLBPRKAA2MAPK14
SCHEMBL19970806 0.77 SIGMAR1 (0.61) STAT3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17109174 0.77 SIGMAR1 (0.53) ALDH1A1STAT3PRKAB2PRKAG1PRKAA2
SCHEMBL17109275 0.77 PRKAA2 (0.50) STAT3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6277953 0.76 LSS (0.57) ALDH1A1KDM4EPOLBSTAT3MAPK14
SCHEMBL17115840 0.76 PRKAA2 (0.59) ALDH1A1STAT3PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS ALDH1A1 4277/4885KDM4E 1496/4885POLB 3835/4885

“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.