SCHEMBL26036525

SCHEMBL26036525

Clc1ccc(Cc2cc(CNc3ncco3)ccn2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 13/20 0.41
▸ DYRK1A Q13627 10/20 0.41
▸ CLK2 P49760 7/20 0.41
▸ CLK1 P49759 7/20 0.41
▸ DYRK1B Q9Y463 6/20 0.41
▸ CLK3 P49761 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ CHEK1 O14757 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38

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
SCHEMBL26036527 0.87 MEN1 (0.43) CLK4DYRK1ACLK2CLK1DYRK1B
SCHEMBL24163604 0.74 FFAR1 (0.43) CLK4DYRK1ACLK2CLK1DYRK1B
SCHEMBL28233999 0.71 SLC6A2 (0.43) CLK4DYRK1ACLK2CLK1DYRK1B
SCHEMBL17663978 0.70 TSHR (0.42) MAPK1ALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL25007409 0.68 KDM4E (0.49) CLK4DYRK1ACLK1MAPK1ALDH1A1
SCHEMBL7046408 0.68 FABP1 (0.50) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL30724679 0.68 DYRK1A (0.53) CLK4DYRK1ACLK2CLK1DYRK1B
SCHEMBL30854991 0.67 NPC1 (0.51) ALDH1A1
SCHEMBL28971693 0.65 CLK4 (0.52) CLK4DYRK1ACLK2CLK1DYRK1B
SCHEMBL5855082 0.65 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3

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-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-31 — — US disclosed
US-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-31 — — 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-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS RPL35, RPL5, RPL23 CLK4 2510/4885DYRK1A 1713/4885CLK2 2513/4885

“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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