SCHEMBL9965753

SCHEMBL9965753

Oc1c(C(Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.70
BRAF P15056 2/20 0.70
MAPT P10636 3/20 0.69
KDM4E B2RXH2 2/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 1/20 0.69
HSP90AA1 P07900 1/20 0.69
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
USP2 O75604 1/20 0.66
TP53 P04637 1/20 0.66
P4HB P07237 1/20 0.66
THRB P10828 1/20 0.66
ADAMTS5 Q9UNA0 1/20 0.61

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
SCHEMBL9965504 0.90 MCL1 (0.74) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL14742429 0.89 MCL1 (0.67) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL30783048 0.87 MCL1 (0.70) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL15783182 0.87 MCL1 (0.70) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL9965507 0.87 MCL1 (0.70) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL23854804 0.85 HSP90AA1 (0.84) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL12164235 0.85 MCL1 (0.74) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL12516014 0.85 MDM2 (0.74) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL15781891 0.84 MCL1 (0.73) MCL1BRAFMAPTKDM4ELMNA
SCHEMBL7994574 0.84 MDM2 (0.69) MCL1MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074379-A1 Antimicrobial Compounds NORTHEASTERN UNIVERSITY 2016-03-17 US disclosed
US-20160074379-A1 Antimicrobial Compounds NORTHEASTERN UNIVERSITY 2016-03-17 US disclosed
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9241928-B2 Antimicrobial compounds THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 US disclosed
US-9241928-B2 Antimicrobial compounds THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 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-20120232110-A1 Antimicrobial Compounds NORTHEASTERN UNIVERSITY (US) 2012-09-13 US disclosed
US-20120232110-A1 Antimicrobial Compounds NORTHEASTERN UNIVERSITY (US) 2012-09-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20160074379-A1 Antimicrobial Compounds CLPP, MRPL21, SPOUT1 MCL1 84/4885BRAF 3559/4885MAPT 4451/4885
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MCL1 54/4885BRAF 182/4885MAPT 3015/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MCL1 53/4885BRAF 132/4885MAPT 1076/4885
US-20120232110-A1 Antimicrobial Compounds CLPP, MRPL21, SPOUT1 MCL1 84/4885BRAF 3559/4885MAPT 4451/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MCL1 43/4885BRAF 115/4885MAPT 1268/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MCL1 54/4885BRAF 182/4885MAPT 3015/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MCL1 54/4885BRAF 182/4885MAPT 3015/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 MCL1 56/4885BRAF 160/4885MAPT 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.