SCHEMBL1012785

SCHEMBL1012785

CC(C)Oc1cc(Cl)c(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
LMNA P02545 1/20 0.41
XDH P47989 1/20 0.38
RORC P51449 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
VCAM1 P19320 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DHODH Q02127 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL1015156 0.89 PDK1 (0.51) PDK1LMNAXDHRORCPOLB
SCHEMBL1787616 0.86 MEN1 (0.50) PDK1LMNAPOLBMAPTMEN1
SCHEMBL11778508 0.84 LMNA (0.53) LMNAPOLBGAAMAPTMEN1
SCHEMBL29236565 0.83 PDK1 (0.52) PDK1LMNAXDHRORCMAPT
SCHEMBL27496659 0.82 PDK1 (0.51) PDK1LMNAXDHRORCPOLB
SCHEMBL1018361 0.79 PDK1 (0.49) PDK1LMNAXDHPOLBMEN1
SCHEMBL30640841 0.79 PDK1 (0.49) PDK1LMNAXDHPOLBMEN1
SCHEMBL10483678 0.78 VCAM1 (0.46) KMT2ACA12CA9VCAM1ALDH1A1
SCHEMBL27496999 0.77 PDK1 (0.49) PDK1LMNACA12CA9VCAM1
SCHEMBL24718245 0.77 PDK1 (0.50) PDK1LMNAXDHPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 EP disclosed
EP-2311807-B1 Compounds and composition as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-11 EP disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
EP-2091918-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2014-08-27 EP disclosed
CN-102131788-B Compounds and compositions as protein kinase inhibitors IRM LLC 2014-03-19 CN disclosed
CN-103641816-A Compounds and compositions as protein kinase inhibitors IRM LLC 2014-03-19 CN disclosed
US-8592432-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 US disclosed
US-8399450-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-03-19 US disclosed
US-8377921-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-19 US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
CN-102131788-A Compounds and compositions as protein kinase inhibitors IRM LLC 2011-07-20 CN disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
EP-2311807-A1 Compounds and composition as protein kinase inhibitors IRM LLC (BM) 2011-04-20 EP disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
CN-101616895-A Compounds and compositions as protein kinase inhibitors IRM LLC 2009-12-30 CN disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO disclosed
EP-2091918-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-08-26 EP disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 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 (4 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-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ROS1, INSR, IGF1R PDK1 95/4885LMNA 1726/4885XDH 2369/4885
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK1 123/4885LMNA 3782/4885XDH 4145/4885
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK1 123/4885LMNA 3782/4885XDH 4145/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK1 123/4885LMNA 3782/4885XDH 4145/4885

“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.