SCHEMBL1621765

SCHEMBL1621765

O=C(/C=C/c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.68
MTOR P42345 2/20 0.66
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
PIK3CD O00329 13/20 0.61
PIK3CB P42338 11/20 0.61
PIK3CG P48736 11/20 0.61
PIK3C2A O00443 1/20 0.59
PLK4 O00444 1/20 0.59
PIK3R2 O00459 1/20 0.59
PIK3C2B O00750 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
DAPK3 O43293 1/20 0.59
STK16 O75716 1/20 0.59
PIK3C2G O75747 1/20 0.59
NTRK1 P04629 1/20 0.59
NQO2 P16083 1/20 0.59
CSNK2A2 P19784 1/20 0.59
JAK1 P23458 1/20 0.59

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
SCHEMBL31290175 0.91 PIK3CA (0.64) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL31290042 0.90 PIK3CA (0.68) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL31290238 0.88 PIK3CA (0.67) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL1284088 0.88 PIK3CA (0.69) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL25823594 0.88 PIK3CA (0.59) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL1284086 0.88 PIK3CA (0.69) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL31290046 0.87 PIK3CA (0.64) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL31290220 0.87 PIK3CA (0.66) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL31290211 0.87 PIK3CA (0.66) PIK3CAMTORABCC4ABCB11PIK3CD
SCHEMBL1687434 0.87 PIK3CA (0.68) PIK3CAMTORABCC4ABCB11PIK3CD

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 32 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-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-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 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
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 (12 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 57/4885MTOR 441/4885ABCC4 3948/4885
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885MTOR 471/4885ABCC4 3968/4885
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885MTOR 441/4885ABCC4 3948/4885
US-10894795-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885MTOR 471/4885ABCC4 3968/4885
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885MTOR 471/4885ABCC4 3968/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885MTOR 441/4885ABCC4 3948/4885
US-20200339593-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885MTOR 471/4885ABCC4 3968/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885MTOR 441/4885ABCC4 3948/4885
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885MTOR 441/4885ABCC4 3948/4885
US-10676482-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885MTOR 441/4885ABCC4 3948/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885MTOR 220/4885ABCC4 2836/4885
US-20190352310-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885MTOR 441/4885ABCC4 3948/4885

“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.