SCHEMBL12320463

SCHEMBL12320463

CC(=O)NCc1cnccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SETDB1 Q15047 2/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ CYP11B2 P19099 1/20 0.37
▸ SOST Q9BQB4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ACVR1B P36896 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12320186 0.85 KCNA5 (0.40) SOSTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL16692647 0.81 ALDH1A1 (0.51) NPSR1DYRK1ACLK4LMNAALDH1A1
SCHEMBL16692646 0.80 NAMPT (0.46) NPSR1L3MBTL1LMNAACVR1BTGFBR1
SCHEMBL14960629 0.79 SOST (0.54) MTNR1ANPSR1SETDB1CLK1CLK2
SCHEMBL20959793 0.78 SLC6A2 (0.42) RPS6KA3
SCHEMBL10188339 0.76 LMNA (0.41) L3MBTL1LMNASMN1; SMN2RPS6KA3
SCHEMBL10061709 0.76 ALDH1A1 (0.45) MTNR1ANPSR1SETDB1CLK1CLK2
SCHEMBL12320462 0.75 NAMPT (0.39) SETDB1CLK2CDK5DYRK1ACLK4
SCHEMBL19323035 0.75 LMNA (0.43) MTNR1ANPSR1SETDB1CLK1CLK2
SCHEMBL30421834 0.75 POLB (0.51) MTNR1ACLK1CLK2CLK3CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 — — 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-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E MTNR1A 1912/4885NPSR1 3005/4885SETDB1 2334/4885

“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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