SCHEMBL3323254

SCHEMBL3323254

Cc1cc2nccn2cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
DYRK1A Q13627 2/20 0.37
KEAP1 Q14145 1/20 0.37
TGFBR1 P36897 5/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
TGFBR2 P37173 1/20 0.33
PDE4A P27815 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKDC P78527 2/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.31
AXL P30530 1/20 0.30

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
SCHEMBL20517143 0.85 L3MBTL1 (0.41) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL11985799 0.82 L3MBTL1 (0.44) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL16581970 0.77 L3MBTL1 (0.41) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL22745442 0.77 L3MBTL1 (0.44) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL407441 0.77 L3MBTL1 (0.49) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL29229581 0.77 DYRK1A (0.37) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL27452784 0.77 L3MBTL1 (0.41) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL31211992 0.77 DYRK1A (0.34) DYRK1AKEAP1TGFBR1MEN1CYP1A2
Hydrochloric Acid SCHEMBL31647268 0.76 L3MBTL1 (0.47) L3MBTL1DYRK1AKEAP1TGFBR1MEN1
SCHEMBL17286613 0.74 L3MBTL1 (0.39) L3MBTL1DYRK1AKEAP1TGFBR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
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
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 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
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 L3MBTL1 3324/4885DYRK1A 1119/4885KEAP1 579/4885

“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.