SCHEMBL13137283

SCHEMBL13137283

Cn1cnc2nc(Br)ccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10238677 0.78 PRPS1 (0.42) DYRK1AGRM5ALDH1A1MAPTDPP4
SCHEMBL23529932 0.76 PRPS1 (0.41) DYRK1AGRM5ALDH1A1MAPTDPP4
SCHEMBL29492199 0.76 PRPS1 (0.41) DYRK1AGRM5ALDH1A1MAPTDPP4
SCHEMBL23346896 0.76 DYRK1A (0.44) DYRK1AGRM5ALDH1A1MAPTDPP4
Hydrochloric Acid SCHEMBL31362150 0.74 DYRK1A (0.42) DYRK1AGRM5ALDH1A1MAPTDPP4
SCHEMBL8501962 0.72 HRH4 (0.31) DYRK1AALDH1A1KDM4EGLAGAA
SCHEMBL23530266 0.72 CCR1 (0.39) DYRK1AGRM5ALDH1A1MAPTHDAC1
SCHEMBL19960597 0.72 DPP4 (0.41) DYRK1AGRM5ALDH1A1MAPTDPP4
SCHEMBL31068652 0.69 HRH4 (0.41) DYRK1AALDH1A1
SCHEMBL23143444 0.68 CDK1 (0.37) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 DYRK1A 1121/4885GRM5 104/4885ALDH1A1 3109/4885

“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.