SCHEMBL17354036

SCHEMBL17354036

CNC(=O)c1cccc(C(=O)C=CN(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.63
ALDH1A1 P00352 10/20 0.63
HTT P42858 4/20 0.63
GAA P10253 3/20 0.63
HPGD P15428 3/20 0.63
RECQL P46063 2/20 0.60
RAB9A P51151 5/20 0.57
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.44

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
SCHEMBL16024024 1.00 MAPT (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5946453 0.88 MAPT (0.77) MAPTALDH1A1HTTGAAHPGD
SCHEMBL22449502 0.82 RECQL (0.71) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5800440 0.82 RECQL (0.71) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4256806 0.81 MAPT (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1879896 0.81 MAPT (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1879894 0.81 MAPT (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4256808 0.81 MAPT (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL10291821 0.81 MAPT (0.67) MAPTALDH1A1HTTGAAHPGD
SCHEMBL2944257 0.81 MAPT (0.67) MAPTALDH1A1HTTGAAHPGD

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 4 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
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

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 MAPT 2058/4885ALDH1A1 2906/4885HTT 2207/4885

“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.