SCHEMBL16023978

SCHEMBL16023978

COc1ccc(-c2ccc3c(N4C[C@@H](C)O[C@@H](C)C4)nc(N4C5CCC4COC5)nc3n2)cc1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 1.00
KCNH2 Q12809 2/20 0.73
PIK3CD O00329 1/20 0.73
PIK3CA P42336 1/20 0.73
RICTOR Q6R327 1/20 0.73
RPTOR Q8N122 1/20 0.73
MAPKAP1 Q9BPZ7 1/20 0.73
MLST8 Q9BVC4 1/20 0.73

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
SCHEMBL24044692 1.00 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL17354044 1.00 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL16023975 0.94 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL16023988 0.92 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL17353998 0.90 MTOR (1.00) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL24044688 0.89 MTOR (0.80) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL17353992 0.89 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL16023976 0.89 MTOR (1.00) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL17415488 0.89 MTOR (0.79) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL19491822 0.87 MTOR (0.82) MTORKCNH2PIK3CDPIK3CARICTOR

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 1/4885KCNH2 3914/4885PIK3CD 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.