SCHEMBL14960629

SCHEMBL14960629

CC(=O)NCc1cnccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.54
▸ NAMPT P43490 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SETDB1 Q15047 4/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.42
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL10061709 0.86 ALDH1A1 (0.45) SOSTNAMPTCYP2C9SETDB1MTNR1A
SCHEMBL19151069 0.83 SOST (0.52) SOSTNAMPTCYP2C9PIK3CASIRT3
SCHEMBL14960630 0.83 SOST (0.52) SOSTNAMPTCYP2C9PIK3CASIRT3
SCHEMBL25587537 0.82 SOST (0.51) SOSTNAMPTCYP2C9PIK3CASIRT3
SCHEMBL19116551 0.80 SOST (0.49) SOSTNAMPTCYP2C9PIK3CASIRT3
SCHEMBL12320561 0.80 HPGD (0.68) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL12320463 0.79 MTNR1A (0.41) SOSTSETDB1MTNR1ANPSR1MAPK1
SCHEMBL30421834 0.79 POLB (0.51) MTNR1ACLK1CLK2CLK3CDK5
SCHEMBL19323035 0.79 LMNA (0.43) SOSTNAMPTCYP2C9SETDB1MTNR1A
SCHEMBL16181507 0.79 NAMPT (0.49) SOSTNAMPTCYP2C9PIK3CAKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 — — US disclosed
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 — — WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 — — WO disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 — — US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 — — US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 — — 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 (4 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E SOST 4722/4885NAMPT 2833/4885CYP2C9 4460/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E SOST 4704/4885NAMPT 2723/4885CYP2C9 4446/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E SOST 4704/4885NAMPT 2723/4885CYP2C9 4446/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 SOST 1259/4885NAMPT 3699/4885CYP2C9 1378/4885

“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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