SCHEMBL1288554

SCHEMBL1288554

Clc1cc(Cl)cc(-c2ncc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.52
MTOR P42345 1/20 0.52
ADK P55263 1/20 0.52
SMPD3 Q9NY59 1/20 0.49
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRD4 O60885 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.36

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
SCHEMBL28494454 0.84 NISCH (0.62) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL5188940 0.82 KDM4E (0.61) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL1688559 0.80 NISCH (0.60) NISCHMTORADKALDH1A1KDM4E
SCHEMBL5188952 0.79 KDM4E (0.64) NISCHSMPD3ALDH1A1KDM4EGFER
SCHEMBL482165 0.78 NISCH (0.64) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL24575956 0.77 CCR1 (0.42) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL17959142 0.75 CYP17A1 (0.41) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL1688519 0.74 NISCH (0.52) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL28728517 0.74 NISCH (0.52) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL28239386 0.74 NISCH (0.64) NISCHMTORADKSMPD3ALDH1A1

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 25 patents — showing the first 20. 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
CN-103403010-A inhibitors of POLO-like kinases ELAN PHARM INC 2013-11-20 CN disclosed
EP-2661268-A2 INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2013-11-13 EP disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 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
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
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 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
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (5 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 NISCH 4678/4885MTOR 603/4885ADK 356/4885
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E NISCH 4677/4885MTOR 449/4885ADK 415/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E NISCH 4668/4885MTOR 548/4885ADK 337/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E NISCH 4677/4885MTOR 449/4885ADK 415/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E NISCH 4668/4885MTOR 548/4885ADK 337/4885

“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.