SCHEMBL9962889

SCHEMBL9962889

CCc1cc(Cl)cnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.61
RAB9A P51151 5/20 0.61
MDM2 Q00987 8/20 0.61
P4HB P07237 3/20 0.61
PAX8 Q06710 2/20 0.61
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL9965736 0.92 MDM2 (0.59) HSP90AA1RAB9AMDM2P4HBPAX8
SCHEMBL9965742 0.90 RAB9A (0.66) HSP90AA1RAB9AMDM2P4HBKDM4E
SCHEMBL9965550 0.89 MDM2 (0.64) HSP90AA1RAB9AMDM2P4HBKDM4E
SCHEMBL9965726 0.87 MDM2 (0.78) HSP90AA1RAB9AMDM2P4HBPAX8
SCHEMBL9965521 0.86 MDM2 (0.61) HSP90AA1RAB9AMDM2P4HBMEN1
SCHEMBL15781900 0.82 MDM2 (0.77) HSP90AA1RAB9AMDM2P4HBPAX8
SCHEMBL15781936 0.81 MDM2 (0.64) HSP90AA1RAB9AMDM2P4HBPAX8
SCHEMBL9965688 0.80 P4HB (0.63) HSP90AA1RAB9AMDM2P4HBPAX8
SCHEMBL31568629 0.80 P4HB (0.72) HSP90AA1RAB9AMDM2P4HBPAX8
SCHEMBL14652513 0.80 P4HB (0.72) HSP90AA1RAB9AMDM2P4HBPAX8

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 23 patents — showing the first 20. 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-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-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-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-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-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS ERRICO, JOSEPH P. 2015-04-16 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-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-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-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
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 (5 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 HSP90AA1 356/4885RAB9A 2092/4885MDM2 3/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 HSP90AA1 961/4885RAB9A 2629/4885MDM2 448/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 HSP90AA1 883/4885RAB9A 2153/4885MDM2 354/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 HSP90AA1 356/4885RAB9A 2092/4885MDM2 3/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 HSP90AA1 356/4885RAB9A 2092/4885MDM2 3/4885

“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.