SCHEMBL1989718

SCHEMBL1989718

CC(O)c1cc2ncccc2nc1-c1ccccc1F.CC(c1cc2ncccc2nc1-c1ccccc1F)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.37
MBNL1 Q9NR56 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
SYK P43405 1/20 0.34
LMNA P02545 1/20 0.33
PIM1 P11309 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALOX15 P16050 1/20 0.32
MET P08581 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AHR P35869 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL1994712 0.95 MBNL1 (0.40) DHODHMBNL1NPC1MAPTKDM5B
SCHEMBL1990683 0.88 MBNL1 (0.46) DHODHMBNL1NPC1SYKMAPK13
SCHEMBL12564510 0.82 CYP1A2 (0.36) MAPK14ALOX15ALDH1A1SMN1; SMN2
SCHEMBL1993391 0.80 USP2 (0.39) DHODHKDM5BMAPK14ALDH1A1SMN1; SMN2
SCHEMBL12605690 0.79 NPC1 (0.37) DHODHMBNL1NPC1MAPTKDM5B
SCHEMBL1988675 0.79 RAB9A (0.35) NPC1MAPTALDH1A1AHRRAB9A
SCHEMBL1988609 0.77 MBNL1 (0.46) DHODHMBNL1NPC1SYKMAPK13
SCHEMBL1163741 0.74 MET (0.50) NPC1MET
SCHEMBL28680573 0.74 MET (0.50) NPC1MET
SCHEMBL29870023 0.74 MET (0.50) NPC1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DHODH 3134/4885MBNL1 1660/4885NPC1 4505/4885

“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.