SCHEMBL14960630

SCHEMBL14960630

COC(=O)NCc1cnccc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.52
▸ NAMPT P43490 3/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PIK3CA P42336 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ LMNA P02545 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
SCHEMBL16181507 0.85 NAMPT (0.49) SOSTNAMPTCYP2C9PIK3CAKDM4C
SCHEMBL14960629 0.83 SOST (0.54) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL19151069 0.81 SOST (0.52) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL12320186 0.80 KCNA5 (0.40) SOSTTSHRPOLBSMN1; SMN2MEN1
SCHEMBL25587537 0.79 SOST (0.51) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL19116551 0.77 SOST (0.49) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL12320561 0.77 HPGD (0.68) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL28333273 0.76 ALDH1A1 (0.62) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL7848367 0.75 NAMPT (0.70) NAMPTCYP2C9
SCHEMBL29896148 0.75 ROCK2 (0.47) SOSTPIK3CAGAATLR2

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 4 patents. 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
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 (3 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

“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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