SCHEMBL9965541

SCHEMBL9965541

Cc1ccc(C)c(C(Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 1.00
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
HSP90AA1 P07900 4/20 0.65
MCL1 Q07820 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
ALDH1A1 P00352 2/20 0.65
ADAM17 P78536 1/20 0.65
MAPT P10636 2/20 0.61
KDM4E B2RXH2 3/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
ALOX12 P18054 2/20 0.52
ADAMTS5 Q9UNA0 1/20 0.49
P4HB P07237 1/20 0.49

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
SCHEMBL14742637 0.84 MDM2 (0.72) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL7994574 0.82 MDM2 (0.69) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL16501074 0.80 MCL1 (0.76) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL30450520 0.79 KMT2A (1.00) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL7990562 0.79 KMT2A (1.00) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL1814193 0.76 ADAMTS5 (0.80) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL15783247 0.75 ADAMTS5 (0.70) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL1814576 0.74 ADAMTS5 (0.85) ADAMTS5
SCHEMBL15783165 0.72 MCL1 (0.81) MDM2MEN1KMT2AHSP90AA1MCL1
SCHEMBL15488989 0.72 MDM2 (0.73) MDM2HSP90AA1MCL1L3MBTL1ALDH1A1

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 11 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

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 3/4885MEN1 3966/4885KMT2A 3490/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MDM2 448/4885MEN1 3121/4885KMT2A 3667/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MDM2 354/4885MEN1 3324/4885KMT2A 3952/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MDM2 3/4885MEN1 3966/4885KMT2A 3490/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 MDM2 3/4885MEN1 3966/4885KMT2A 3490/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 MDM2 288/4885MEN1 3108/4885KMT2A 3588/4885

“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.