SCHEMBL12506975

SCHEMBL12506975

O=C(CCl)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 10/20 0.51
▸ HIPK4 Q8NE63 4/20 0.51
▸ MAP4K4 O95819 3/20 0.51
▸ CSNK2A1 P68400 3/20 0.51
▸ SRPK1 Q96SB4 4/20 0.49
▸ STK3 Q13188 4/20 0.49
▸ AURKB Q96GD4 4/20 0.49
▸ RPS6KA3 P51812 3/20 0.49
▸ MAPKAPK2 P49137 3/20 0.49
▸ CSNK1G3 Q9Y6M4 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ PIM3 Q86V86 3/20 0.49
▸ PLK3 Q9H4B4 2/20 0.49
▸ DYRK4 Q9NR20 2/20 0.49
▸ PIM2 Q9P1W9 2/20 0.49
▸ RPS6KB1 P23443 1/20 0.49
▸ AKT2 P31751 1/20 0.49
▸ PLK1 P53350 1/20 0.49
▸ PRKCD Q05655 1/20 0.49
▸ GSK3A P49840 7/20 0.49

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
SCHEMBL29128671 0.88 CLK4 (0.53) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL10327562 0.84 TAS2R14 (0.49) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL18425134 0.84 ACVR1 (0.49) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL2635287 0.80 TAS2R14 (0.57) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL17609790 0.80 TRPV3 (0.50) CLK4HIPK4MAP4K4CSNK2A1ABL1
SCHEMBL5031654 0.79 P2RX7 (0.53) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL29640129 0.79 P2RX7 (0.53) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL13170010 0.79 KDM4E (0.56) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL19520239 0.78 CLK4 (0.52) CLK4HIPK4MAP4K4CSNK2A1SRPK1
SCHEMBL2578961 0.77 ALDH1A1 (0.71) GRM5ALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 — — US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 — — US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 — — US disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 — — WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 — — 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 (2 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-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CLK4 2215/4885HIPK4 1875/4885MAP4K4 2145/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 CLK4 2573/4885HIPK4 2772/4885MAP4K4 2322/4885

“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.

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