SCHEMBL1675917

SCHEMBL1675917

COc1c([N+](=O)[O-])ccc(C#N)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 2/20 0.35
PIN1 Q13526 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL22009905 0.80 VCAM1 (0.51) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31150399 0.78 TDP1 (0.44) VCAM1ALDH1A1TDP1KMT2AHTT
SCHEMBL521184 0.78 TDP1 (0.44) VCAM1ALDH1A1TDP1KMT2AHTT
SCHEMBL2958280 0.78 VCAM1 (0.51) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2967890 0.78 VCAM1 (0.44) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6742801 0.78 TDP1 (0.47) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2252572 0.77 VCAM1 (0.49) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL15722112 0.77 TDP1 (0.42) ALDH1A1TDP1KMT2AHTTLMNA
SCHEMBL2549695 0.77 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPTALOX15
SCHEMBL7373383 0.76 TPMT (0.44) VCAM1GRIA1GRIA2GRIA3GRIA4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2205241-B1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
EP-2205241-B1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS VCAM1 2087/4885GRIA1 1931/4885GRIA2 2857/4885
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK VCAM1 4373/4885GRIA1 3505/4885GRIA2 3719/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK VCAM1 4373/4885GRIA1 3505/4885GRIA2 3719/4885

“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.