SCHEMBL1310171

SCHEMBL1310171

CN1CCN(Cc2ccc3c(n2)oc2c(N4CCOCC4)nc(-c4cc(C(F)(F)F)cc5[nH]ccc45)nc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.60
PIK3CA P42336 15/20 0.60
PIK3CB P42338 14/20 0.60
PIK3CG P48736 14/20 0.60
ATR Q13535 2/20 0.44
CYP3A4 P08684 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL1311592 0.90 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL1310528 0.86 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL1309930 0.82 PIK3CA (0.56) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL1309867 0.81 PIK3CA (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL1310791 0.80 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL1311889 0.79 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL18552526 0.78 PIK3CA (0.68) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL18553665 0.77 PIK3CA (0.65) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL1309406 0.77 PIK3CA (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL1310487 0.76 ROCK2 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467387-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS. KARUS THERAPEUTICS LTD (GB) 2015-01-07 EP disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 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 (1 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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD PIK3CD 3/4885PIK3CA 2/4885PIK3CB 7/4885

“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.