SCHEMBL2051189

SCHEMBL2051189

Clc1ccc(-c2ncc[nH]2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
KDM4E B2RXH2 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM1A O60341 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CSNK1A1 P48729 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
SCHEMBL27586678 0.78 NISCH (0.50) NISCHMTORADKALDH1A1MEN1
SCHEMBL10960475 0.77 NISCH (0.46) NISCHMTORADKCYP2A6ALDH1A1
SCHEMBL27687541 0.77 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL27958201 0.74 NISCH (0.63) NISCHMTORADKCYP2A6ALDH1A1
SCHEMBL26118059 0.70 NISCH (0.39) NISCHMTORADKALDH1A1MEN1
SCHEMBL26118054 0.70 NISCH (0.39) NISCHMTORADKALDH1A1MEN1
Pyridine SCHEMBL27604730 0.70 NISCH (0.44) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL26120470 0.69 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL26120467 0.69 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
SCHEMBL9524743 0.69 TP53 (0.34) NISCHMTORADKMAPTTAAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102791714-A N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors HOFFMANN LA ROCHE 2012-11-21 CN disclosed
EP-2516441-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2012-10-31 EP 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-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

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-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E NISCH 4677/4885MTOR 449/4885ADK 415/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H NISCH 4372/4885MTOR 594/4885ADK 381/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E NISCH 4677/4885MTOR 449/4885ADK 415/4885

“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.