SCHEMBL1300511

SCHEMBL1300511

CC(C)(C)OC(=O)N1CC=C(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.51
PIK3CD O00329 1/20 0.42
GRM1 Q13255 3/20 0.42
PIK3CA P42336 5/20 0.41
PIK3R1 P27986 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
GRM5 P41594 2/20 0.39
PDK4 Q16654 1/20 0.38
CNR1 P21554 1/20 0.38
MTOR P42345 1/20 0.38
JAK1 P23458 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL1301238 0.83 PIK3CA (0.58) KITPIK3CDPIK3CAMTOR
SCHEMBL1865963 0.82 PIK3CA (0.42) PIK3CDPIK3CAPIK3R1SMN1; SMN2USP2
SCHEMBL466290 0.79 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1MTOR
SCHEMBL1867260 0.79 PIK3CA (0.42) PIK3CDPIK3CAPIK3R1SMN1; SMN2USP2
SCHEMBL2672415 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3R1SMN1; SMN2USP2
SCHEMBL12464078 0.78 KIT (0.45) KITGRM1GRM5PDK4CNR1
SCHEMBL1860950 0.78 PIK3CD (0.41) PIK3CDPIK3CAPIK3R1SMN1; SMN2USP2
SCHEMBL30254708 0.78 GRM1 (0.41) PIK3CDGRM1SMN1; SMN2USP2GRM5
SCHEMBL1867692 0.77 PIK3CA (0.45) PIK3CDPIK3CAPIK3R1SMN1; SMN2USP2
SCHEMBL1088548 0.77 PIK3CD (0.48) PIK3CDPIK3CAPIK3R1MTOR

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 14 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
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-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
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO 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 KIT 4281/4885PIK3CD 4347/4885GRM1 1488/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B KIT 1019/4885PIK3CD 5/4885GRM1 3370/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP KIT 4281/4885PIK3CD 4347/4885GRM1 1488/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP KIT 4281/4885PIK3CD 4347/4885GRM1 1488/4885

“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.