SCHEMBL1500697

SCHEMBL1500697

Brc1cnc2ncc(Br)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
DYRK1A Q13627 7/20 0.48
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
DYRK1B Q9Y463 5/20 0.43
AURKA O14965 3/20 0.43
DAPK3 O43293 2/20 0.43
JAK2 O60674 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
ABL1 P00519 2/20 0.43
RET P07949 2/20 0.43
FGFR1 P11362 2/20 0.43
PDGFRA P16234 2/20 0.43
FLT1 P17948 2/20 0.43
LTK P29376 2/20 0.43
GRK5 P34947 2/20 0.43
KDR P35968 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CDK8 P49336 2/20 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
SCHEMBL31378796 0.86 SMN1; SMN2 (0.44) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B
SCHEMBL28370791 0.81 DYRK1A (0.42) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B
SCHEMBL13905439 0.79 HCAR2 (0.53) SMN1; SMN2KMT2ADYRK1BALDH1A1KDM4E
SCHEMBL1544265 0.79 HTT (0.47) SMN1; SMN2DYRK1AHTTDYRK1BKDR
SCHEMBL29862389 0.79 HTT (0.47) SMN1; SMN2DYRK1AHTTDYRK1BKDR
SCHEMBL29407003 0.78 CCR1 (0.52) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B
SCHEMBL557234 0.78 CCR1 (0.52) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B
SCHEMBL208952 0.78 SMN1; SMN2 (0.38) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B
SCHEMBL4923752 0.76 SMN1; SMN2 (0.40) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B
SCHEMBL23757065 0.75 KMT2A (0.44) SMN1; SMN2DYRK1AHTTKMT2ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 US disclosed
US-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 US disclosed
US-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
US-20060286408-A1 1,8-Naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2006-12-21 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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 (3 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 SMN1; SMN2 867/4885DYRK1A 650/4885HTT 3353/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 SMN1; SMN2 831/4885DYRK1A 590/4885HTT 3793/4885
US-20060286408-A1 1,8-Naphthyridine compound and organic light-emitting device using the same CCNL2, CDKL1, NCKAP1L SMN1; SMN2 4528/4885DYRK1A 3449/4885HTT 2320/4885

“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.