SCHEMBL1301024

SCHEMBL1301024

Cc1[nH]nc(-c2nc3cc(N)ccc3[nH]2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.47
CHEK2 O96017 4/20 0.44
HDAC4 P56524 1/20 0.40
CNR1 P21554 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HASPIN Q8TF76 1/20 0.39
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
CNR2 P34972 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
SCHEMBL1300626 0.93 PARP1 (0.46) PARP1CHEK2HDAC4CNR1L3MBTL1
SCHEMBL12106572 0.91 PARP1 (0.44) PARP1CHEK2HDAC4CNR1L3MBTL1
SCHEMBL1300432 0.91 HDAC4 (0.44) PARP1CHEK2HDAC4CHEK1FLT3
SCHEMBL1300817 0.88 MAPT (0.50) PARP1CHEK2HDAC4L3MBTL1
SCHEMBL19198782 0.75 FLT3 (0.44) CHEK2CHEK1FLT3RETKDR
SCHEMBL13849227 0.75 CHEK1 (0.55) CHEK2CHEK1FLT3
SCHEMBL5952481 0.75 CHEK1 (0.48) CHEK1FLT3
SCHEMBL13849215 0.74 FLT3 (0.48) PARP1CHEK2CHEK1FLT3
SCHEMBL31172327 0.73 FLT3 (0.56) CHEK2CHEK1FLT3
SCHEMBL13849193 0.72 FLT3 (0.52) CHEK1FLT3

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-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
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 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 (3 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 PARP1 1989/4885CHEK2 3607/4885HDAC4 1449/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP PARP1 1989/4885CHEK2 3607/4885HDAC4 1449/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP PARP1 1989/4885CHEK2 3607/4885HDAC4 1449/4885

“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.