SCHEMBL31064872

SCHEMBL31064872

Brc1ccncc1-c1cnccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
CDC25B P30305 1/20 0.39
RPS6KA3 P51812 1/20 0.39
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IMPDH2 P12268 1/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35

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
SCHEMBL19397825 0.88 MAOA (0.48) AXLMAOAMAOBTP53MAPT
SCHEMBL11690799 0.86 CDC25B (0.41) AXLMAOAMAOBTP53MAPT
SCHEMBL1203463 0.81 ALDH1A1 (0.54) MAOAMAOBTP53MAPTCYP3A4
SCHEMBL29048399 0.79 CYP2A6 (0.56) TP53MAPTCYP3A4SMN1; SMN2GAA
SCHEMBL30518820 0.79 CYP2A6 (0.56) TP53MAPTCYP3A4SMN1; SMN2GAA
SCHEMBL1203743 0.79
SCHEMBL24810003 0.78 SLC22A12 (0.44) MAPTSMN1; SMN2CDC25BRPS6KA3NPC1
SCHEMBL31319806 0.77 MAOA (0.43) MAOAMAOBTP53MAPTCYP3A4
SCHEMBL5687616 0.77 CA1 (0.37) AXLMAPTCYP3A4TSHRCASP1
SCHEMBL20816227 0.77 CCNC (0.44) AXLMAOAMAOBTP53MAPT

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
US-20240315127-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-09-19 US disclosed
CN-118580260-A Organic compound, light-emitting device, electronic apparatus, and electronic device 三星显示有限公司 2024-09-03 CN 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-20240315127-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE RPL31, RPL38, RNF31 AXL 2096/4885MAOA 2294/4885MAOB 2118/4885

“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.