SCHEMBL2126377

SCHEMBL2126377

Cc1nc2c(C)cccc2c(O)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 3/20 0.43
ELANE P08246 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.40
TSHR P16473 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2123408 0.81 NR4A2 (0.47) MEN1KMT2APARP1ALDH1A1TNKS
SCHEMBL28852217 0.81 PARP1 (0.36) KDM4EMEN1KMT2APARP1ALDH1A1
SCHEMBL2124645 0.79 ALDH1A1 (0.50) KDM4EMEN1KMT2APARP1ELANE
SCHEMBL7782675 0.79 KDM4E (0.52) KDM4EMEN1RAD52KMT2AALDH1A1
SCHEMBL6821557 0.78 KDM4E (0.43) KDM4EKMT2AELANEALDH1A1PARP2
SCHEMBL15849387 0.78 MEN1 (0.40) KDM4EMEN1KMT2APARP1ALDH1A1
SCHEMBL2125784 0.77 KDM4E (0.49) KDM4EMEN1RAD52KMT2APARP1
SCHEMBL17060429 0.76 CYP1A2 (0.50) KDM4EMEN1RAD52KMT2APARP1
SCHEMBL8803159 0.75 ADORA2B (0.54) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18436963 0.74 ALDH1A1 (0.44) KDM4EMEN1RAD52KMT2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (1 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KDM4E 1436/4885MEN1 1146/4885RAD52 4389/4885

“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.