SCHEMBL1687433

SCHEMBL1687433

Nc1ccc(-c2nc(N3CCOCC3)c3sc(CNCc4ccc(/C=C/C(=O)NO)cc4)cc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.52
HDAC1 Q13547 6/20 0.52
PIK3R1 P27986 2/20 0.52
PIK3CD O00329 12/20 0.51
PIK3CB P42338 12/20 0.51
PIK3CG P48736 11/20 0.51
MTOR P42345 3/20 0.45
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
PRKDC P78527 1/20 0.43
KCNH2 Q12809 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL1686124 0.88 PIK3CA (0.55) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB
SCHEMBL1623003 0.87 HDAC1 (0.51) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB
SCHEMBL1622791 0.82 HDAC1 (0.52) HDAC1HDAC2HDAC10HDAC11HDAC3
SCHEMBL1687434 0.81 PIK3CA (0.68) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1623027 0.79 HDAC1 (0.48) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB
SCHEMBL1285145 0.78 HDAC1 (0.59) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB
SCHEMBL1622965 0.76 HDAC1 (0.55) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB
SCHEMBL1623006 0.76 HDAC1 (0.52) PIK3CAHDAC1HDAC2HDAC10HDAC11
SCHEMBL16900652 0.74 PIK3CA (0.57) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB
SCHEMBL16900656 0.73 HDAC1 (0.57) PIK3CAHDAC1PIK3R1PIK3CDPIK3CB

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 23 patents — showing the first 20. 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-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2022-12-22 US disclosed
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2021-07-15 US disclosed
US-10894795-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2021-01-19 US disclosed
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2020-10-29 US disclosed
US-10676482-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2020-06-09 US disclosed
US-20190352310-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2019-11-21 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
US-9725461-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2017-08-08 US disclosed
US-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-8461157-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-06-11 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
US-8367663-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-02-05 US disclosed
US-8367663-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-02-05 US disclosed
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2010-09-02 US disclosed
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2010-09-02 US 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 (13 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-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-10336770-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885HDAC1 10/4885PIK3R1 106/4885
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-10894795-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885HDAC1 10/4885PIK3R1 106/4885
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885HDAC1 10/4885PIK3R1 106/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885HDAC1 10/4885PIK3R1 106/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-10676482-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885HDAC1 6/4885PIK3R1 139/4885
US-20190352310-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC1 10/4885PIK3R1 106/4885

“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.