SCHEMBL1989441

SCHEMBL1989441

O=Cc1cc2ncccc2nc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.46
NPC1 O15118 1/20 0.46
MBNL1 Q9NR56 1/20 0.44
DHODH Q02127 1/20 0.40
TGFBR1 P36897 2/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1988362 0.79 PABPC1 (0.37) ERN1NPC1F10ALDH1A1
SCHEMBL12564514 0.79 ERN1 (0.41) ERN1NPC1TGFBR1KDM4EALDH1A1
SCHEMBL1988818 0.77 BCHE (0.46) ERN1TGFBR1ADORA2ACSNK2A2CSNK2B
SCHEMBL1990024 0.75 NPC1 (0.46) NPC1MBNL1DHODHTGFBR1ADORA2A
SCHEMBL28281956 0.74 MBNL1 (0.49) NPC1MBNL1DHODHTGFBR1PIK3R1
SCHEMBL1990683 0.73 MBNL1 (0.46) NPC1MBNL1DHODHTGFBR1PIK3R1
SCHEMBL1988609 0.73 MBNL1 (0.46) NPC1MBNL1DHODHTGFBR1PIK3R1
SCHEMBL17363620 0.73 MBNL1 (0.61) NPC1MBNL1TGFBR1PIK3R1PIK3CA
SCHEMBL2169868 0.71 NPC1 (0.47) ERN1NPC1KDM4EALDH1A1
SCHEMBL1994712 0.70 MBNL1 (0.40) NPC1MBNL1DHODHTGFBR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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 (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 ERN1 3449/4885NPC1 4505/4885MBNL1 1660/4885

“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.