SCHEMBL16024023

SCHEMBL16024023

CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4C5CCC4COC5)nc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
PIK3CA P42336 2/20 0.85
PIK3CD O00329 1/20 0.85
PIK3R1 P27986 1/20 0.85
PIK3CB P42338 1/20 0.85
PIK3CG P48736 1/20 0.85
PFKP Q01813 1/20 0.85
KCNH2 Q12809 1/20 0.85
RPTOR Q8N122 1/20 0.85
PIK3C3 Q8NEB9 1/20 0.85
MLST8 Q9BVC4 1/20 0.85

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
Mti-31 SCHEMBL17354025 0.95 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Mti-31 SCHEMBL29921552 0.95 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Mti-31 SCHEMBL29638190 0.95 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL29397309 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL29353400 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL290672 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL29350053 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL20734874 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL22449928 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL1214881 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966079-B1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-24 EP disclosed
EP-2966079-B1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-24 EP disclosed
US-9796732-B2 Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2017-10-24 US disclosed
US-9796732-B2 Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2017-10-24 US disclosed
US-9796732-B2 Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2017-10-24 US disclosed
EP-2966079-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-01-13 EP disclosed
EP-2966079-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-01-13 EP disclosed
US-20150368274-A1 Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof FUDAN UNIVERSITY (CN) 2015-12-24 US disclosed
US-20150368274-A1 Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof FUDAN UNIVERSITY (CN) 2015-12-24 US disclosed
US-20150368274-A1 Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof FUDAN UNIVERSITY (CN) 2015-12-24 US disclosed
WO-2014135028-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2014-09-12 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-20150368274-A1 Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof MTOR, PIK3CA, RICTOR MTOR 1/4885PIK3CA 2/4885PIK3CD 4/4885

“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.