SCHEMBL2126347

SCHEMBL2126347

Cc1c(-c2ccccn2)nc2ccccc2c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 1/20 0.54
METAP1 P53582 5/20 0.45
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHODH Q02127 1/20 0.41
POLB P06746 1/20 0.41
AGTR1 P30556 1/20 0.41
LRRK2 Q5S007 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL13063628 0.85 NPC1 (0.59) NPC1KDM4EMETAP1RAB9ALMNA
SCHEMBL2720422 0.84 SMN1; SMN2 (0.45) NPC1KDM4EMETAP1LMNAL3MBTL1
SCHEMBL27866856 0.82 CCR1 (0.43) KDM4ERAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL27883186 0.81 CCR1 (0.46) RAB9ALMNAL3MBTL1ALDH1A1MAPT
SCHEMBL3782688 0.81 KDM4E (0.54) NPC1KDM4EMETAP1RAB9ALMNA
SCHEMBL2712438 0.81 NPC1 (0.54) NPC1KDM4EMETAP1RAB9ALMNA
SCHEMBL27866931 0.81 NPC1 (0.50) NPC1KDM4EMETAP1RAB9ALMNA
SCHEMBL2855425 0.76 KDM4E (0.55) NPC1KDM4EMETAP1RAB9ALMNA
SCHEMBL27866844 0.76 MAPK14 (0.54) ALDH1A1MAPTMEN1KMT2ADHODH
SCHEMBL14084546 0.76 NPC1 (0.54) NPC1KDM4EMETAP1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NPC1 4528/4885KDM4E 1436/4885METAP1 3985/4885

“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.