SCHEMBL30278941

SCHEMBL30278941

O=Nc1c(-c2c(O)[nH]c3c(Br)cccc23)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 1.00
▸ CDK5R1 Q15078 17/20 1.00
▸ CDK5 Q00535 16/20 1.00
▸ GSK3A P49840 15/20 1.00
▸ CDK1 P06493 14/20 1.00
▸ ALOX5 P09917 6/20 1.00
▸ AURKB Q96GD4 5/20 1.00
▸ AURKC Q9UQB9 5/20 1.00
▸ AURKA O14965 3/20 1.00
▸ AHR P35869 1/20 1.00
▸ DYRK2 Q92630 1/20 1.00
▸ CCNB1 P14635 12/20 0.70
▸ CCNB2 O95067 11/20 0.70
▸ CCNB3 Q8WWL7 11/20 0.70
▸ FLT3 P36888 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ USP2 O75604 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ TP53 P04637 2/20 0.70

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
Indirubin-3-Monoxime SCHEMBL29354191 0.83 CDK5R1 (1.00) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL30319828 0.79 CDK5R1 (1.00) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL29361130 0.78 GSK3B (1.00) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL31307772 0.75 GSK3B (0.75) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL29484209 0.74 GSK3B (1.00) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL30319818 0.74 GSK3B (0.83) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL29924508 0.71 GSK3B (0.72) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL30141665 0.71 CDK5R1 (1.00) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL30309734 0.70 CDK5R1 (1.00) GSK3BCDK5R1CDK5GSK3ACDK1
SCHEMBL30655964 0.68 KIF11 (0.59) GSK3BCDK5R1CDK5GSK3ACDK1

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-20240358678-A1 METHODS AND COMPOSITIONS FOR ENHANCING CHEMOTHERAPEUTIC DRUG UPTAKE INTO BRAIN TUMORS BROWN UNIVERSITY 2024-10-31 — — US disclosed
US-20230122229-A1 USE OF PULSED FOCUSED ULTRASOUND THERAPY IN COMBINATION WITH MESENCHYMAL STROMAL CELLS OR MESENCHYMAL STROMAL CELL-DERIVED EXTRACELLULAR VESICLES FOR REGENERATION OF KIDNEY TISSUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-04-20 — — 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-20240358678-A1 METHODS AND COMPOSITIONS FOR ENHANCING CHEMOTHERAPEUTIC DRUG UPTAKE INTO BRAIN TUMORS SLC19A1, SLC5A7, FABP7 GSK3B 1329/4885CDK5R1 1679/4885CDK5 731/4885

“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.

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