SCHEMBL2049587

SCHEMBL2049587

Cn1ncc(B(O)O)c1-c1nccs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL1688453 0.72 SIGMAR1 (0.31) SIGMAR1
SCHEMBL21233278 0.69 CYP11B2 (0.40) PDPK1SMPD3KDM4EHPGDCYP2A6
SCHEMBL2047756 0.68 LMNA (0.39) PDPK1SMPD3SIGMAR1PDE10ARAB9A
SCHEMBL31227740 0.67 HIF1A (0.41) KDM4EHPGDRAB9ANPC1ALDH1A1
SCHEMBL768868 0.67 SMPD3 (0.42) PDPK1SMPD3PDE10ARAB9ANPC1
SCHEMBL22951301 0.66 ADORA2A (0.37) PDPK1SMPD3KDM4EHPGDCYP2A6
SCHEMBL16003631 0.64 PDE10A (0.44) SMPD3KDM4EHPGDPDE10AGABRA1
SCHEMBL16352268 0.64 PDE10A (0.42) KDM4EHPGDPDE10AGABRA1GABRG2
SCHEMBL28038250 0.64 ALDH1A1 (0.37) SMPD3KDM4EHPGDPDE10ARAB9A
SCHEMBL2494015 0.63 PDPK1 (0.38) PDPK1SMPD3KDM4ECYP2A6SIGMAR1

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 15 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
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 — — WO 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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 — — WO 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 (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 PDPK1 60/4885SMPD3 1908/4885KDM4E 1910/4885
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PDPK1 60/4885SMPD3 2074/4885KDM4E 1776/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PDPK1 81/4885SMPD3 1435/4885KDM4E 2246/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PDPK1 49/4885SMPD3 1915/4885KDM4E 1953/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PDPK1 60/4885SMPD3 2074/4885KDM4E 1776/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PDPK1 49/4885SMPD3 1915/4885KDM4E 1953/4885

“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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