SCHEMBL1688573

SCHEMBL1688573

CCOC(=O)C(CC(F)(F)F)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 13/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10024798 0.89 PIN1 (0.37) PIN1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL1288298 0.81 PIN1 (0.38) PIN1KMT2AALDH1A1
SCHEMBL1288296 0.81 PIN1 (0.38) PIN1KMT2AALDH1A1
SCHEMBL10449200 0.81 PIN1 (0.38) PIN1KMT2AALDH1A1
SCHEMBL10321154 0.79 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL10320949 0.79 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL10320947 0.79 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL10320625 0.79 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL1675902 0.77 THRB (0.36) PIN1POLBMEN1KMT2AALDH1A1
SCHEMBL11753029 0.77 PIN1 (0.44) PIN1MAPT

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 27 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
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
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-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-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 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
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-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 PIN1 2106/4885POLB 9/4885MEN1 4152/4885
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PIN1 1543/4885POLB 11/4885MEN1 3894/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PIN1 1983/4885POLB 11/4885MEN1 3607/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PIN1 2187/4885POLB 9/4885MEN1 4103/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PIN1 1543/4885POLB 11/4885MEN1 3894/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PIN1 2187/4885POLB 9/4885MEN1 4103/4885

“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.