SCHEMBL2047756

SCHEMBL2047756

Cn1cc(B(O)O)c(-c2nccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ ADORA1 P30542 8/20 0.36
▸ ADORA2A P29274 8/20 0.36
▸ ADORA3 P0DMS8 4/20 0.36
▸ PDE10A Q9Y233 2/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ ADORA2B P29275 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL31469325 0.68 KDM4E (0.41) LMNANPC1PKMRECQLRAB9A
SCHEMBL31469377 0.68 TDP2 (0.35) PDE10AECE1
SCHEMBL2049587 0.68 PDPK1 (0.33) PDE10APDPK1SMPD3NPC1PKM
SCHEMBL768868 0.67 SMPD3 (0.42) PDE10APDPK1SMPD3NPC1PKM
SCHEMBL28154527 0.65 PDPK1 (0.56) ADORA1ADORA2AADORA3ADORA2BPDPK1
SCHEMBL25324172 0.64 CSNK1D (0.63) —
SCHEMBL29957031 0.64 PDPK1 (0.43) PDPK1SMPD3NPC1RAB9A
SCHEMBL10201578 0.63 HSP90AA1 (0.44) PDE10APDPK1NPC1PKMRECQL
SCHEMBL953920 0.63 COMT (0.36) LMNANPC1RAB9A
SCHEMBL8213534 0.62 ESR1 (0.40) ADORA1ADORA2AADORA3ECE1ADORA2B

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 14 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
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 — — EP disclosed
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE Elan Corporation, Inc. (US) 2013-12-12 — — US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 — — 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
EP-2516441-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2012-10-31 — — EP disclosed
CN-102762568-A Pteridinones as inhibitors of polo - like kinase ELAN PHARM INC 2012-10-31 — — CN disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 — — US disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 — — WO disclosed
WO-2011079118-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 (6 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 LMNA 2211/4885ADORA1 1980/4885ADORA2A 3335/4885
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E LMNA 2080/4885ADORA1 2573/4885ADORA2A 3549/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H LMNA 1693/4885ADORA1 2801/4885ADORA2A 3143/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LMNA 2130/4885ADORA1 1901/4885ADORA2A 3299/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E LMNA 2080/4885ADORA1 2573/4885ADORA2A 3549/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LMNA 2130/4885ADORA1 1901/4885ADORA2A 3299/4885

“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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