SCHEMBL3324022

SCHEMBL3324022

c1ccc(COC2CCN(c3ccn4ccnc4c3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
RPS6KB1 P23443 1/20 0.42
AOC3 Q16853 1/20 0.40
LIPG Q9Y5X9 3/20 0.39
LPL P06858 1/20 0.39
LIPC P11150 1/20 0.39
QPCT Q16769 1/20 0.39
NAAA Q02083 2/20 0.39
ACACB O00763 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL13363829 0.80 QPCT (0.49) HRH3AOC3LIPGLIPCQPCT
SCHEMBL26437360 0.80 HRH3 (0.54) HRH3QPCTSUV39H2
SCHEMBL26437703 0.75 HRH3 (0.46) HRH3AOC3QPCTACACBTLR9
SCHEMBL26437457 0.73 HRH3 (0.49) HRH3AOC3QPCTSUV39H2
SCHEMBL26437436 0.73 HRH3 (0.49) HRH3AOC3QPCTSUV39H2
SCHEMBL13336404 0.73 HRH3 (0.49) HRH3AOC3QPCTSUV39H2
SCHEMBL26438297 0.73 HRH3 (0.47) HRH3QPCTSUV39H2
SCHEMBL26437835 0.72 HRH3 (0.47) HRH3AOC3QPCTSUV39H2
SCHEMBL31402993 0.72 RPS6KB1 (0.49) HRH3RPS6KB1LIPGLPLLIPC
SCHEMBL26437646 0.70 HRH3 (0.54) HRH3AOC3QPCTSUV39H2

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
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-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

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 HRH3 1863/4885RPS6KB1 749/4885AOC3 4631/4885

“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.