SCHEMBL7923443

SCHEMBL7923443

Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.78
PIK3CA P42336 12/20 0.78
PIK3CG P48736 3/20 0.71
PIK3CD O00329 2/20 0.71
PIK3C2B O00750 2/20 0.71
PIK3R1 P27986 2/20 0.71
PIK3CB P42338 2/20 0.71
PRKDC P78527 2/20 0.71
PIK3C3 Q8NEB9 2/20 0.71
PI4KB Q9UBF8 2/20 0.71
PIK3R5 Q8WYR1 2/20 0.71
AKR1C3 P42330 1/20 0.71
RICTOR Q6R327 1/20 0.67
RPTOR Q8N122 1/20 0.67
MAPKAP1 Q9BPZ7 1/20 0.67
MLST8 Q9BVC4 1/20 0.67

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
SCHEMBL855515 0.88 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
SCHEMBL1310735 0.85 PIK3CA (0.57) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
SCHEMBL7914669 0.84 MTOR (0.81) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
SCHEMBL1310732 0.83 MTOR (0.76) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
Buparlisib SCHEMBL29350945 0.83 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
Buparlisib SCHEMBL29387968 0.83 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
Buparlisib SCHEMBL146956 0.83 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
Buparlisib SCHEMBL29351351 0.83 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
Buparlisib SCHEMBL18528952 0.82 MTOR (0.98) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
Buparlisib SCHEMBL143412 0.82 MTOR (0.98) MTORPIK3CAPIK3CGPIK3CDPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766874-B2 Manufacturing process for triazine, pyrimidine and pyridine derivatives UNIVERSITAET BASEL (CH) 2020-09-08 US disclosed
US-10766874-B2 Manufacturing process for triazine, pyrimidine and pyridine derivatives UNIVERSITAET BASEL (CH) 2020-09-08 US disclosed
CN-111032085-A Combination of an immune checkpoint antagonist and a RANK-L (NF-KB ligand) antagonist or bispecific binding molecules thereof for use in cancer treatment or prevention and uses thereof 昆士兰医学研究所理事会 2020-04-17 CN disclosed
US-20190016698-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES TORQUR AG (CH) 2019-01-17 US disclosed
US-20190016698-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES TORQUR AG (CH) 2019-01-17 US disclosed
EP-3134388-B1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES UNIV BASEL (CH) 2019-01-09 EP disclosed
EP-3134388-B1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES UNIV BASEL (CH) 2019-01-09 EP disclosed
US-10100031-B2 Manufacturing process for triazine, pyrimidine and pyridine derivatives UNIVERSITAET BASEL (CH) 2018-10-16 US disclosed
EP-3134388-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES Universität Basel (CH) 2017-03-01 EP disclosed
US-20170037027-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES TORQUR AG (CH) 2017-02-09 US disclosed
WO-2015162084-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES UNIVERSITAET BASEL (CH) 2015-10-29 WO disclosed
WO-2015162084-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES UNIVERSITAET BASEL (CH) 2015-10-29 WO 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
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 (5 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-20190016698-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES IL5, WIZ, TPMT MTOR 2001/4885PIK3CA 1654/4885PIK3CG 1659/4885
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885PIK3CG 16/4885
US-10100031-B2 Manufacturing process for triazine, pyrimidine and pyridine derivatives IL5, WIZ, TPMT MTOR 1914/4885PIK3CA 1453/4885PIK3CG 1510/4885
US-20170037027-A1 NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES IL5, WIZ, TPMT MTOR 2042/4885PIK3CA 1580/4885PIK3CG 1650/4885
US-10766874-B2 Manufacturing process for triazine, pyrimidine and pyridine derivatives IL5, WIZ, TPMT MTOR 2151/4885PIK3CA 1298/4885PIK3CG 1399/4885

“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.