SCHEMBL2270644

SCHEMBL2270644

O=c1[nH]c2ccc(C3=NC(Cc4ccccc4Cl)CNc4ccc(Cl)cc43)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
GRIA1 P42261 4/20 0.40
CACNG8 Q8WXS5 4/20 0.40
CCKBR P32239 3/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALB P02768 1/20 0.39
PGR P06401 1/20 0.38
CHRM1 P11229 2/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 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
SCHEMBL11964631 0.84 CCKBR (0.58) CCKBRLMNAMEN1KMT2AALB
SCHEMBL2262529 0.84 CCKBR (0.58) CCKBRLMNAMEN1KMT2AALB
SCHEMBL2267642 0.83 LMNA (0.44) CCKBRLMNAMEN1KMT2AALB
SCHEMBL14707309 0.82 CCKBR (0.47) CCKBRLMNAMEN1KMT2AALB
SCHEMBL2796264 0.80 TAAR1 (0.38) CCKBRLMNAMEN1KMT2AALB
SCHEMBL2797615 0.78 CHRM1 (0.40) CCKBRLMNAMEN1KMT2AALB
SCHEMBL2268179 0.76 OPRK1 (0.48) DYRK1AGRIA1CACNG8CCKBRLMNA
SCHEMBL13061033 0.75 CCKBR (0.47) DYRK1AGRIA1CACNG8CCKBRLMNA
SCHEMBL1515218 0.75 CCKBR (0.47) DYRK1AGRIA1CACNG8CCKBR
SCHEMBL11964634 0.75 CCKBR (0.56) CCKBRLMNAMEN1KMT2AALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US disclosed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US 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-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 DYRK1A 3166/4885GRIA1 207/4885CACNG8 536/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 DYRK1A 3166/4885GRIA1 207/4885CACNG8 536/4885

“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.