SCHEMBL16692647

SCHEMBL16692647

CC(C)c1ccncc1CNC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NAMPT P43490 2/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47

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
SCHEMBL12320561 0.82 HPGD (0.68) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL12320463 0.81 MTNR1A (0.41) ALDH1A1KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL12320186 0.79 KCNA5 (0.40) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL12277059 0.76 KDM4D (0.62) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL16692646 0.75 NAMPT (0.46) LMNANPSR1NAMPTKCNA5CYP3A4
SCHEMBL21104852 0.73 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL6910838 0.73 LMNA (0.55) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL20959793 0.73 SLC6A2 (0.42) EPHX2CYP2C9CYP2C19CYP3A4
SCHEMBL1161697 0.71 MMP13 (0.82) ALDH1A1LMNASMN1; SMN2HTTNAMPT
SCHEMBL1161997 0.71 NAMPT (0.75) ALDH1A1KMT2ALMNAHTTNAMPT

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 ALDH1A1 4256/4885HPGD 2889/4885KMT2A 1580/4885

“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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