SCHEMBL1300380

SCHEMBL1300380

COC(=O)c1ccc2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDE P14735 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CREBBP Q92793 1/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
ACHE P22303 2/20 0.44
MAP4K4 O95819 1/20 0.44
KIT P10721 2/20 0.43
CLK1 P49759 1/20 0.43
PDGFRB P09619 2/20 0.43
NCF1 P14598 1/20 0.42
GBA1 P04062 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL17729235 0.84 IDO1 (0.53) IDEMEN1KMT2AMAPK1ACHE
SCHEMBL30495380 0.84 IDO1 (0.53) IDEMEN1KMT2AMAPK1ACHE
SCHEMBL1775346 0.84 NCF1 (0.56) IDEMEN1KMT2AMAPTACHE
SCHEMBL7467892 0.84 MAP4K4 (0.51) IDEMEN1KMT2AMAPTACHE
SCHEMBL21138145 0.82 MAPK7 (0.49) KMT2AMAPTHTT
SCHEMBL1299882 0.82 IDE (0.47) IDEMEN1KMT2AMAPTACHE
SCHEMBL1300018 0.82 IDE (0.50) IDEMEN1KMT2ACCNCCDK8
SCHEMBL2921834 0.81 NCF1 (0.60) IDEMEN1KMT2AMAPTMAPK1
SCHEMBL20938625 0.81 HRH3 (0.59) MEN1KMT2AACHEMAP4K4
SCHEMBL2422976 0.81 PDGFRB (0.55) IDEMEN1KMT2AACHEKIT

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-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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 (4 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP IDE 331/4885MEN1 4479/4885KMT2A 1160/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B IDE 686/4885MEN1 2185/4885KMT2A 2741/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP IDE 331/4885MEN1 4479/4885KMT2A 1160/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP IDE 331/4885MEN1 4479/4885KMT2A 1160/4885

“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.