SCHEMBL16023974

SCHEMBL16023974

COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4C5CCC4COC5)nc3n2)cc1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
FECH P22830 1/20 0.85
PIK3R1 P27986 1/20 0.85
PIK3CA P42336 1/20 0.85
KCNH2 Q12809 1/20 0.85
RICTOR Q6R327 1/20 0.85
RPTOR Q8N122 1/20 0.85
MAPKAP1 Q9BPZ7 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
SCHEMBL17354019 1.00 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL17354032 0.95 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL2905772 0.93 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL24264610 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL1219191 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL2929203 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL298416 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL7861464 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL19263472 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
Azd-8055 SCHEMBL7861478 0.92 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2

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
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
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
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 1/4885FECH 1453/4885PIK3R1 12/4885

“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.