SCHEMBL16748003

SCHEMBL16748003

FC(F)(F)Oc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
ABL1 P00519 4/20 0.39
BCR P11274 4/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL16739626 0.88 ROCK1 (0.43) ALDH1A1MAPTKDM4EGAARAB9A
SCHEMBL16748002 0.88 KCNH2 (0.46) ALDH1A1MAPTKDM4EGAARAB9A
SCHEMBL16747972 0.88 PKM (0.53) ALDH1A1MAPTKDM4EGAARAB9A
SCHEMBL16747889 0.84 IRAK4 (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL16740330 0.81 ABL1 (0.41) ALDH1A1MAPTKDM4EGAAABL1
SCHEMBL16740222 0.77 BRAF (0.38) MAPTKDM4ERAB9ANPC1MAPK1
SCHEMBL16740041 0.77 GALR2 (0.41) MAPTGAAABL1BCRBRAF
SCHEMBL16739551 0.77 PKM (0.40) ALDH1A1MAPTKDM4EGAARAB9A
SCHEMBL16740003 0.76 PKM (0.53) ALDH1A1MAPTKDM4EGAARAB9A
SCHEMBL16739653 0.73 TUBB4A (0.51) ALDH1A1MAPTKDM4EGAARAB9A

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US claimed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO 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 (2 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885MAPT 4561/4885KDM4E 102/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885MAPT 4561/4885KDM4E 102/4885

“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.