SCHEMBL657185

SCHEMBL657185

O=C(c1ccccc1)c1cc2cc(Cl)ccc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.70
DYRK1B Q9Y463 8/20 0.70
CLK1 P49759 7/20 0.70
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B1 P14061 3/20 0.48
HDAC1 Q13547 3/20 0.48
BCL2L1 Q07817 1/20 0.47
NFKB1 P19838 1/20 0.47
PPARG P37231 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL23041064 0.83 DYRK1A (0.63) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL29742302 0.82 BCL2L1 (0.59) DYRK1ADYRK1BCLK1BCL2L1
SCHEMBL8338532 0.82 DYRK1A (0.76) DYRK1ADYRK1BCLK1RAB9AHSD17B1
SCHEMBL740202 0.82 BCL2L1 (0.59) DYRK1ADYRK1BCLK1BCL2L1
SCHEMBL10286931 0.81 DYRK1A (0.48) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL10252866 0.81 DYRK1A (0.48) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL656300 0.81 DYRK1A (0.48) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL23041059 0.81 DYRK1A (0.70) DYRK1ADYRK1BCLK1RAB9AMEN1
SCHEMBL23041047 0.81 DYRK1A (0.70) DYRK1ADYRK1BCLK1HSD17B1HDAC1
SCHEMBL10516290 0.81 DYRK1A (0.70) DYRK1ADYRK1BCLK1HSD17B1HDAC1

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
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB DYRK1A 504/4885DYRK1B 578/4885CLK1 378/4885

“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.