SCHEMBL6910258

SCHEMBL6910258

CC(C)n1ccnc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ PCSK9 Q8NBP7 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ EGLN1 Q9GZT9 5/20 0.32

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
SCHEMBL12320460 0.75 LPO (0.40) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL12277820 0.71 KDM5B (0.46) POLBKMT2ALMNAMAPTNOTUM
SCHEMBL12277676 0.68 CHKA (0.32) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL12145803 0.68 POLB (0.36) POLBKDM4EALDH1A1KMT2ALMNA
SCHEMBL32810 0.66 KDM4E (0.46) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL12277293 0.66 BRD4 (0.36) KDM4E
SCHEMBL12277680 0.66 HRH4 (0.39) KMT2AMEN1GAA
SCHEMBL12277792 0.66 RECQL (0.32) POLBLMNA
SCHEMBL273629 0.65 — —
SCHEMBL14961826 0.64 POLB (0.47) POLBKDM4EALDH1A1KMT2ALMNA

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 5 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
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 — — WO 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 POLB 9/4885KDM4E 1910/4885ALDH1A1 4226/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E POLB 9/4885KDM4E 1953/4885ALDH1A1 4256/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E POLB 9/4885KDM4E 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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