SCHEMBL2053341

SCHEMBL2053341

Fc1c(Cl)cccc1-c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NISCH Q9Y2I1 2/20 0.43
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
MC4R P32245 2/20 0.43
KMO O15229 2/20 0.42
F2RL1 P55085 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP6 P55212 1/20 0.39
IDO1 P14902 1/20 0.37

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
SCHEMBL893307 0.82 ADRA1A (0.47) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL1436578 0.82 CSNK1A1 (0.46) ADRA1AADRA2ACSNK1A1TYRO3DYRK1B
SCHEMBL1458606 0.82 NISCH (0.53) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL31753416 0.79 CSNK1A1 (0.47) ADRA1AADRA2ACSNK1A1TYRO3DYRK1B
SCHEMBL3670744 0.79 NISCH (0.50) ADRA1AADRA2AADRA2CADRA1DADRA1B
Hydrochloric Acid SCHEMBL31753605 0.78 CSNK1A1 (0.46) ADRA1AADRA2AADRA2CCSNK1A1TYRO3
SCHEMBL7235096 0.77 TAAR1 (0.49) CSNK1A1TYRO3DYRK1BTAAR1NISCH
SCHEMBL6002606 0.76 ADRA2A (0.52) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL26259965 0.75 NISCH (0.54) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL9287236 0.75 NISCH (0.64) ADRA1AADRA2AADRA2CCSNK1A1TYRO3

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 6 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
EP-2516441-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2012-10-31 EP 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 (2 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 ADRA1A 2267/4885ADRA2A 3334/4885ADRA2C 3553/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E ADRA1A 2267/4885ADRA2A 3334/4885ADRA2C 3553/4885

“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.