SCHEMBL9965509

SCHEMBL9965509

Oc1c(C(Nc2ccccn2)c2ccc(C(F)(F)F)c(F)c2)ccc2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.67
JMJD7 P0C870 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HIF1A Q16665 1/20 0.67
HSD17B10 Q99714 1/20 0.67
P4HB P07237 7/20 0.66
MAPT P10636 3/20 0.66
USP2 O75604 2/20 0.66
LMNA P02545 2/20 0.66
THRB P10828 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
TEAD4 Q15561 1/20 0.65
MDM2 Q00987 4/20 0.63
GRK6 P43250 1/20 0.62
SLC2A1 P11166 1/20 0.61
KDM4E B2RXH2 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 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
SCHEMBL9965649 0.90 MDM2 (0.72) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL9965756 0.89 MDM2 (0.68) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL9965581 0.89 MDM2 (0.64) TP53P4HBMAPTSMN1; SMN2MDM2
SCHEMBL9965580 0.88 MDM2 (0.82) TP53P4HBMAPTSMN1; SMN2MDM2
SCHEMBL9965614 0.87 MDM2 (0.81) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL15781901 0.86 P4HB (0.74) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL15488980 0.85 MDM2 (0.78) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL21842247 0.84 P4HB (0.77) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL9965773 0.84 MDM2 (0.69) TP53P4HBMAPTSMN1; SMN2MDM2
SCHEMBL23854803 0.83 TP53 (0.82) TP53JMJD7CYP2D6CYP2C9CYP2C19

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 TP53 1/4885JMJD7 2561/4885CYP2D6 3719/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 TP53 230/4885JMJD7 307/4885CYP2D6 2533/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 TP53 95/4885JMJD7 475/4885CYP2D6 3149/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 TP53 1/4885JMJD7 2561/4885CYP2D6 3719/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 TP53 1/4885JMJD7 2561/4885CYP2D6 3719/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 TP53 192/4885JMJD7 319/4885CYP2D6 2924/4885

“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.