SCHEMBL9965703

SCHEMBL9965703

Cc1ccnc(NC(c2cc(Cl)cc(Cl)c2)c2cc(Cl)c3cccnc3c2O)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.78
HSP90AA1 P07900 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MDM2 Q00987 3/20 0.61
BRAF P15056 2/20 0.58
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
MDM4 O15151 1/20 0.56
GAA P10253 1/20 0.55
P4HB P07237 1/20 0.55

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
SCHEMBL9965586 0.86 MAPT (0.65) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL9965574 0.85 MDM2 (0.78) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL15488989 0.82 MDM2 (0.73) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL15783213 0.80 MAPT (0.77) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL23854804 0.79 HSP90AA1 (0.84) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL14742637 0.78 MDM2 (0.72) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL9965702 0.78 MAPT (0.73) MCL1KDM4EALDH1A1MAPTTDP1
SCHEMBL15781888 0.77 MDM2 (0.81) HSP90AA1KDM4EALDH1A1MAPTTDP1
SCHEMBL30868614 0.76 HTT (1.00) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL1240130 0.76 HTT (1.00) MCL1HSP90AA1KDM4EALDH1A1MAPT

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 15 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-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-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-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
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US 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 MCL1 54/4885HSP90AA1 356/4885KDM4E 4147/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MCL1 53/4885HSP90AA1 961/4885KDM4E 3370/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MCL1 43/4885HSP90AA1 883/4885KDM4E 3505/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MCL1 54/4885HSP90AA1 356/4885KDM4E 4147/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MCL1 54/4885HSP90AA1 356/4885KDM4E 4147/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 MCL1 56/4885HSP90AA1 922/4885KDM4E 3287/4885

“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.