SCHEMBL4852409

SCHEMBL4852409

CC(=O)c1cc2c(I)c(F)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.45
DYRK1A Q13627 3/20 0.45
DYRK1B Q9Y463 3/20 0.45
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
SLC9A1 P19634 8/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
ERN1 O75460 1/20 0.36
HSD17B1 P14061 1/20 0.34
MAPK14 Q16539 1/20 0.34
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL6089271 0.78 SLC9A1 (0.60) CLK1DYRK1ADYRK1BSLC9A1ALDH1A1
SCHEMBL4853915 0.73 PLAU (0.61) CLK1DYRK1ADYRK1BSLC9A1ALDH1A1
SCHEMBL24857853 0.70 IDO1 (0.34) CDK8
SCHEMBL14902879 0.70 CLK1 (0.47) CLK1DYRK1ADYRK1BCCNCCDK8
SCHEMBL19862051 0.69 DYRK1A (0.46) CLK1DYRK1ADYRK1BCCNCCDK8
SCHEMBL18270779 0.69 NOTUM (0.48) DYRK1ACCNCCDK8SLC9A1ALDH1A1
SCHEMBL13036384 0.68 DYRK1A (0.67) CLK1DYRK1ADYRK1BPOLBHSD17B1
SCHEMBL17988510 0.68 CLK1 (0.67) CLK1DYRK1ADYRK1BALDH1A1L3MBTL1
SCHEMBL15697482 0.67 SLC9A1 (0.61) CLK1DYRK1ADYRK1BSLC9A1ALDH1A1
SCHEMBL6329351 0.67 HDAC3 (0.69) CLK1DYRK1ADYRK1BCCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CLK1 4613/4885DYRK1A 2021/4885DYRK1B 1908/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CLK1 4531/4885DYRK1A 1613/4885DYRK1B 1536/4885

“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.