SCHEMBL1164587

SCHEMBL1164587

c1cnc2sc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.77
PIK3CD O00329 4/20 0.77
PIK3CB P42338 3/20 0.77
PIK3CG P48736 3/20 0.77
PRKCI P41743 2/20 0.52
ATR Q13535 10/20 0.49
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL1310581 0.87 PIK3CD (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKCI
SCHEMBL10276769 0.80 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1310080 0.79 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGPRKCI
SCHEMBL1311652 0.76 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPRKCI
SCHEMBL1164956 0.76 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKCI
SCHEMBL15374745 0.74 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGPRKCI
SCHEMBL10092302 0.74 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGPRKCI
SCHEMBL1309467 0.74 PIK3CD (0.75) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL18552481 0.71 PIK3CD (0.72) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2674252 0.71 PIK3CD (0.75) PIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040079-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2019-02-07 US disclosed
US-9938290-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-04-10 US disclosed
US-9938290-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-04-10 US disclosed
US-20180009826-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2018-01-11 US disclosed
US-9580442-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2017-02-28 US disclosed
US-9580442-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2017-02-28 US disclosed
US-20160108057-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2016-04-21 US disclosed
US-20160108057-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2016-04-21 US disclosed
US-9200007-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2015-12-01 US disclosed
US-9200007-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2015-12-01 US disclosed
EP-2467387-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS. KARUS THERAPEUTICS LTD (GB) 2015-01-07 EP disclosed
US-20120178737-A1 Tricyclic Heterocyclic Compounds as Phosphoinositide 3-Kinase Inhibitors CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2012-07-12 US disclosed
US-20120178737-A1 Tricyclic Heterocyclic Compounds as Phosphoinositide 3-Kinase Inhibitors CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2012-07-12 US disclosed
EP-2467387-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS Karus Therapeutics Limited (GB) 2012-06-27 EP disclosed
WO-2011021038-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2011-02-24 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-20180009826-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2A PIK3CA 1/4885PIK3CD 2/4885PIK3CB 11/4885
US-20120178737-A1 Tricyclic Heterocyclic Compounds as Phosphoinositide 3-Kinase Inhibitors PIK3CA, PIK3CD, PIK3C2A PIK3CA 1/4885PIK3CD 2/4885PIK3CB 11/4885
US-20190040079-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3R2 PIK3CA 1/4885PIK3CD 2/4885PIK3CB 11/4885
US-20160108057-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3R2, PIK3R1, PIK3CA PIK3CA 3/4885PIK3CD 4/4885PIK3CB 9/4885

“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.