SCHEMBL3322932

SCHEMBL3322932

O=C(Nc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAP3K5 Q99683 1/20 0.44
KIT P10721 1/20 0.43
PTK6 Q13882 4/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MLLT1 Q03111 1/20 0.42
FLT3 P36888 2/20 0.42
ROCK1 Q13464 1/20 0.42
MYLK4 Q86YV6 1/20 0.42
NRAS P01111 1/20 0.42
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
ROCK2 O75116 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MELK Q14680 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
Hydrochloric Acid SCHEMBL3846069 0.99 KDM4E (0.46) KDM4EALDH1A1HPGDMAP3K5KIT
SCHEMBL4712318 0.89 KDM4E (0.41) KDM4EKITPOLBMLLT1FLT3
Hydrochloric Acid SCHEMBL3849122 0.88 KDM4E (0.40) KDM4EKITPTK6POLBMLLT1
SCHEMBL4714538 0.85 KDM4E (0.41) KDM4EKITPTK6FLT3ROCK1
Hydrochloric Acid SCHEMBL3848593 0.84 KDM4E (0.41) KDM4EKITPTK6FLT3ROCK1
Hydrochloric Acid SCHEMBL3846953 0.83 KIT (0.39) KDM4EHPGDKITPTK6NPC1
Hydrochloric Acid SCHEMBL3845647 0.83 LRRK2 (0.45) KDM4EALDH1A1PTK6NPC1RAB9A
SCHEMBL16241777 0.83 ROCK1 (0.45) KITPTK6FLT3ROCK1MYLK4
Hydrochloric Acid SCHEMBL3849761 0.82 ROCK1 (0.44) KITPTK6FLT3ROCK1MYLK4
SCHEMBL3323291 0.80 NPC1 (0.48) KITPTK6NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US claimed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP claimed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO claimed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 KDM4E 928/4885ALDH1A1 1131/4885HPGD 1246/4885

“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.