SCHEMBL1288296

SCHEMBL1288296

CCC(C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 14/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
PIM3 Q86V86 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL10449200 1.00 PIN1 (0.38) PIN1ALDH1A1KMT2APKMPIM3
SCHEMBL1288298 1.00 PIN1 (0.38) PIN1ALDH1A1KMT2APKMPIM3
SCHEMBL1288577 0.92 PIN1 (0.39) PIN1ALDH1A1KMT2AGAAHPGD
SCHEMBL10024798 0.91 PIN1 (0.37) PIN1ALDH1A1
SCHEMBL1288575 0.89 PIN1 (0.36) PIN1ALDH1A1PKM
SCHEMBL2688250 0.88 PIN1 (0.35) PIN1ALDH1A1KMT2AGAAHPGD
SCHEMBL2688247 0.88 PIN1 (0.35) PIN1ALDH1A1KMT2AGAAHPGD
SCHEMBL10321154 0.88 PIN1 (0.39) PIN1ALDH1A1GAAHPGD
SCHEMBL10320949 0.88 PIN1 (0.39) PIN1ALDH1A1GAAHPGD
SCHEMBL10320625 0.88 PIN1 (0.39) PIN1ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688685-B2 Method for preparing volasertib and intermediate thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-06-27 US disclosed
US-20170073350-A1 Method for Preparing Volasertib and Intermediate thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-16 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
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-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
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-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 (7 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 2106/4885ALDH1A1 4226/4885KMT2A 1570/4885
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PIN1 1543/4885ALDH1A1 3559/4885KMT2A 1114/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PIN1 1983/4885ALDH1A1 3920/4885KMT2A 1689/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PIN1 2187/4885ALDH1A1 4256/4885KMT2A 1580/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PIN1 1543/4885ALDH1A1 3559/4885KMT2A 1114/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PIN1 2187/4885ALDH1A1 4256/4885KMT2A 1580/4885
US-20170073350-A1 Method for Preparing Volasertib and Intermediate thereof CDK8, MDK, WEE1 PIN1 1397/4885ALDH1A1 3584/4885KMT2A 147/4885

“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.