SCHEMBL12320460

SCHEMBL12320460

Cn1ccnc1-n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPO P22079 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TDO2 P48775 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33

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
SCHEMBL6910258 0.75 POLB (0.37) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL16719314 0.71 LPO (0.44) LPOKDM4EALDH1A1KMT2ALMNA
SCHEMBL12147160 0.68 ALDH1A1 (0.37) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL32810 0.66 KDM4E (0.46) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL18292120 0.64 SMN1; SMN2 (0.50) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL30529723 0.64 ADORA2A (0.38) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL28661523 0.64 TDO2 (0.40) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL14960628 0.64 LPO (0.41) LPOKDM4EALDH1A1KMT2ALMNA
SCHEMBL11146813 0.63 KDM4E (0.36) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL17463116 0.63 GPR3 (0.43) LPOKDM4EALDH1A1KMT2ALMNA

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 LPO 2108/4885KDM4E 1910/4885ALDH1A1 4226/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LPO 2092/4885KDM4E 1953/4885ALDH1A1 4256/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LPO 2092/4885KDM4E 1953/4885ALDH1A1 4256/4885

“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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