SCHEMBL17433464

SCHEMBL17433464

O=C(Nc1nc2cc(Br)ccc2s1)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.57
PLCG2 P16885 1/20 0.57
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
ADORA1 P30542 1/20 0.49
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL17433466 0.91 RAB9A (0.57) DYRK1APLCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL17433390 0.91 DYRK1A (0.60) DYRK1APLCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL17433404 0.81 RAB9A (0.60) DYRK1APLCG2NPC1RAB9A
SCHEMBL4919277 0.77 PLCG2 (0.77) DYRK1APLCG2NPC1RAB9ASMN1; SMN2
SCHEMBL8557413 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAIDO1
SCHEMBL17433428 0.75 NPC1 (0.78) NPC1RAB9ASMN1; SMN2LMNAIDO1
SCHEMBL14807180 0.75 DYRK1A (0.67) DYRK1ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL12502694 0.75 DYRK1A (0.76) DYRK1ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL856499 0.73 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2ADORA1
SCHEMBL17179224 0.73 DYRK1A (0.65) DYRK1ACSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 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 (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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 DYRK1A 1811/4885PLCG2 2388/4885CSNK2A2 1014/4885

“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.