SCHEMBL16629048

SCHEMBL16629048

BNC(=O)c1c(Cl)cccc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LCK P06239 1/20 0.37
GLS O94925 1/20 0.37
CASP3 P42574 3/20 0.37
CASP6 P55212 3/20 0.37
CASP8 Q14790 3/20 0.37
JAK2 O60674 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL14992153 0.87 ITGB1 (0.41) SUV39H2ADORA3MEN1KMT2ACASP3
SCHEMBL14992154 0.87 ITGB1 (0.41) SUV39H2ADORA3MEN1KMT2ACASP3
SCHEMBL1752734 0.83 MEN1 (0.53) MEN1KMT2AMAPK1MAPT
SCHEMBL356174 0.83 TLR7 (0.40) SUV39H2ADORA3MEN1KMT2AJAK2
SCHEMBL16677830 0.81 KDM4E (0.45) KDM4EGLSJAK2TP53MAPT
SCHEMBL16629025 0.79 CTSK (0.37) KDM4ELCKMAPK1TP53MAPT
SCHEMBL21199329 0.77 KDM4E (0.43) KDM4EMEN1KMT2AGLSJAK2
SCHEMBL23126562 0.76 LMNA (0.43) KDM4EMEN1KMT2AGLS
SCHEMBL11901432 0.75 CXCL8 (0.42) KDM4ESUV39H2ADORA3MEN1KMT2A
SCHEMBL15020425 0.74 HPGD (0.51) KDM4EMEN1KMT2AGLSJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
WO-2015143012-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS INFINITY PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
WO-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed
WO-2015051244-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 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-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885SUV39H2 3251/4885ADORA3 1676/4885

“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.