SCHEMBL3717893

SCHEMBL3717893

O=C(O)CCCCCNc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.44
PIK3R1 P27986 10/20 0.44
MTOR P42345 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 1/20 0.36
ERBB3 P21860 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 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
SCHEMBL1284843 0.87 PIK3R1 (0.40) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1863889 0.84 PIK3CA (0.50) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL2563238 0.82 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL2561223 0.82 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL1283975 0.82 PIK3CA (0.47) PIK3CAPIK3R1MTOR
SCHEMBL1284930 0.80 PIK3CA (0.52) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1859022 0.79 PIK3CA (0.53) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1861694 0.77 PIK3CA (0.53) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1283974 0.77 PIK3CA (0.44) PIK3CAPIK3R1MTORSMN1; SMN2HDAC1
SCHEMBL1858759 0.77 PIK3CA (0.47) PIK3CAPIK3R1MTORSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2023-07-20 US disclosed
US-11597732-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2023-03-07 US disclosed
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2022-12-22 US disclosed
US-11261195-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2022-03-01 US disclosed
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2021-07-15 US disclosed
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2020-10-29 US disclosed
US-10336770-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2019-07-02 US disclosed
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2017-12-21 US disclosed
EP-2385832-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-15 EP disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
WO-2010080996-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2010-07-15 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 (8 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-10336770-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885MTOR 441/4885
US-11261195-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885MTOR 441/4885
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885PIK3R1 106/4885MTOR 471/4885
US-11597732-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885PIK3R1 106/4885MTOR 471/4885
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885MTOR 441/4885
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885PIK3R1 106/4885MTOR 471/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885MTOR 441/4885
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885MTOR 441/4885

“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.