SCHEMBL1300899

SCHEMBL1300899

CCOC(=O)c1ccc2[nH]c(-c3n[nH]c(C)c3C(=O)OCc3ccccc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
CHEK1 O14757 1/20 0.45
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT1 Q96EB6 2/20 0.43
SIRT3 Q9NTG7 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HCRTR1 O43613 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL12106578 0.92 RAB9A (0.46) RAB9ANPC1KMT2ASMN1; SMN2CHEK1
SCHEMBL1299865 0.87 PKN1 (0.49) RAB9ANPC1KMT2ASMN1; SMN2PKN1
SCHEMBL4097487 0.86 CHEK1 (0.51) RAB9ANPC1KMT2ASMN1; SMN2CHEK1
SCHEMBL12108636 0.85 PKN1 (0.45) RAB9ANPC1KMT2ASMN1; SMN2PKN1
SCHEMBL5951954 0.79 PDE4D (0.50) RAB9ANPC1KMT2ASMN1; SMN2PKN1
SCHEMBL17275543 0.78 PKN1 (0.65) RAB9ANPC1KMT2ASMN1; SMN2PKN1
SCHEMBL13849192 0.76 FLT3 (0.46) CHEK1PKN1PKN2SIRT2SIRT1
SCHEMBL6171488 0.74 MAPT (0.56) RAB9ANPC1KMT2ASMN1; SMN2PKN1
SCHEMBL12106570 0.73 CHEK1 (0.41) RAB9ANPC1KMT2ASMN1; SMN2CHEK1
SCHEMBL6512775 0.73 HRH3 (0.71) RAB9ANPC1KMT2ASMN1; SMN2MAPT

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 7 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
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP 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 RAB9A 3853/4885NPC1 4245/4885KMT2A 1160/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP RAB9A 3853/4885NPC1 4245/4885KMT2A 1160/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP RAB9A 3853/4885NPC1 4245/4885KMT2A 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.