SCHEMBL20099798

SCHEMBL20099798

Brc1cnc2c(c1)N=NC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 5/20 0.34
AURKA O14965 2/20 0.32
DAPK3 O43293 2/20 0.32
JAK2 O60674 2/20 0.32
MAP4K4 O95819 2/20 0.32
PAK4 O96013 2/20 0.32
ABL1 P00519 2/20 0.32
RET P07949 2/20 0.32
FGFR1 P11362 2/20 0.32
PDGFRA P16234 2/20 0.32
FLT1 P17948 2/20 0.32
LTK P29376 2/20 0.32
GRK5 P34947 2/20 0.32
KDR P35968 2/20 0.32
CSNK1A1 P48729 2/20 0.32
CDK8 P49336 2/20 0.32
CLK2 P49760 2/20 0.32
CDK7 P50613 2/20 0.32

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
SCHEMBL19360565 0.67 DYRK1A (0.32) HTTKMT2ADYRK1AAURKADAPK3
SCHEMBL29682103 0.67 HTT (0.34) HTTKMT2ADYRK1AAURKADAPK3
SCHEMBL30799507 0.64 HTT (0.32) HTTKMT2A
SCHEMBL3871102 0.62 PNMT (0.37) HTTKMT2ADYRK1AAURKADAPK3
SCHEMBL20595611 0.61 DYRK1A (0.35) HTTKMT2ADYRK1AAURKADAPK3
Hydrochloric Acid SCHEMBL21521915 0.61 PNMT (0.36) HTTKMT2ADYRK1AAURKADAPK3
SCHEMBL12343114 0.61 HTT (0.33) HTTKMT2ADYRK1AAURKAJAK2
SCHEMBL4201272 0.60 ABHD6 (0.35) HTTKMT2AABHD6
SCHEMBL30471092 0.60 ABHD6 (0.35) HTTKMT2AABHD6
SCHEMBL5120809 0.60 ADRA2A (0.47) HTTKMT2ADYRK1ACDK5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 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 (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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B HTT 643/4885KMT2A 2970/4885DYRK1A 2164/4885

“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.