SCHEMBL1687121

SCHEMBL1687121

Cc1nc(N2CCOCC2)c2sc(C(=O)NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.49
PIK3R1 P27986 4/20 0.49
HDAC1 Q13547 12/20 0.45
HDAC6 Q9UBN7 11/20 0.45
EHMT2 Q96KQ7 1/20 0.45
HDAC2 Q92769 6/20 0.44
HDAC3 O15379 5/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 2/20 0.44
NCOR2 Q9Y618 4/20 0.43
PIK3CD O00329 4/20 0.43
PIK3CB P42338 4/20 0.43
MTOR P42345 3/20 0.43
PIK3CG P48736 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 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
SCHEMBL14886173 0.90 PIK3CA (0.47) PIK3CAPIK3R1HDAC1HDAC6EHMT2
SCHEMBL1623280 0.90 PIK3CA (0.49) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1284858 0.87 HDAC1 (0.49) PIK3CAPIK3R1HDAC1HDAC6HDAC2
SCHEMBL1687247 0.86 PIK3CA (0.45) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1284541 0.86 HDAC1 (0.64) PIK3CAPIK3R1HDAC1HDAC6EHMT2
SCHEMBL7704929 0.85 HDAC6 (0.44) PIK3CAPIK3R1HDAC1HDAC6EHMT2
SCHEMBL15765716 0.85 HDAC6 (0.45) PIK3CAPIK3R1HDAC1HDAC6EHMT2
SCHEMBL1284297 0.83 PIK3CA (0.45) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1623257 0.81 PIK3CA (0.49) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1285079 0.79 PIK3CA (0.49) PIK3CAPIK3R1HDAC1HDAC6HDAC2

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-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-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-23 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-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

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-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885HDAC1 10/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885HDAC1 10/4885
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885PIK3R1 106/4885HDAC1 10/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885PIK3R1 139/4885HDAC1 6/4885

“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.