SCHEMBL9965741

SCHEMBL9965741

CCc1c(Cl)cnc(NC(c2ccc(OC)c(OC)c2OC)c2ccc3cccnc3c2O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 13/20 1.00
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HSP90AA1 P07900 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
P4HB P07237 1/20 0.46

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
SCHEMBL15781953 0.92 MDM2 (0.85) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965621 0.84 MDM2 (0.73) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965715 0.84 MDM2 (0.73) MDM2MAPTHSP90AA1LMNARAB9A
SCHEMBL15488994 0.84 MDM2 (0.72) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965724 0.82 MDM2 (1.00) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965616 0.80 MDM2 (1.00) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965699 0.80 MDM2 (1.00) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965737 0.79 MDM2 (1.00) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965602 0.78 MDM2 (1.00) MDM2KDM4EMAPTALDH1A1HSP90AA1
SCHEMBL9965615 0.77 MDM2 (0.66) MDM2KDM4EMAPTALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9238641-B2 2016-01-19 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-9023354-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2015-05-05 US disclosed
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS ERRICO, JOSEPH P. 2015-04-16 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2014-05-15 US disclosed
US-8658170-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2014-02-25 US disclosed
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2012-06-21 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
WO-2011085126-A2 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT ERRICO JOSEPH P 2011-07-14 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-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MDM2 3/4885KDM4E 4147/4885MAPT 3015/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MDM2 448/4885KDM4E 3370/4885MAPT 1076/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MDM2 354/4885KDM4E 3505/4885MAPT 1268/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MDM2 3/4885KDM4E 4147/4885MAPT 3015/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MDM2 3/4885KDM4E 4147/4885MAPT 3015/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 MDM2 288/4885KDM4E 3287/4885MAPT 1499/4885

“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.