SCHEMBL2517874

SCHEMBL2517874

CC(C)(C)OC(=O)NC1Cc2ccccc2N(c2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.67
MTNR1B P49286 3/20 0.67
EPHX2 P34913 1/20 0.53
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 2/20 0.43
NAMPT P43490 1/20 0.42
KCNA3 P22001 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41

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
SCHEMBL30576518 1.00 MTNR1A (0.67) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL25331508 0.92 MTNR1A (0.57) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL30576537 0.92 MTNR1A (0.57) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL27057538 0.91 MTNR1A (0.56) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL27057488 0.89 MTNR1A (0.54) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL27057522 0.89 MTNR1A (0.54) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL27057532 0.89 MTNR1A (0.54) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL25330555 0.89 MTNR1A (0.54) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL30767980 0.88 MTNR1A (0.53) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1
SCHEMBL30576466 0.86 SLC6A2 (0.65) MTNR1AMTNR1BEPHX2KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783165-A 1,2,3, 4-tetrahydroquinoline derivatives as YAP/TAZ-TEAD activation inhibitors for the treatment of cancer 天主教鲁汶大学 2023-09-19 CN disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
EP-2379556-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP disclosed
WO-2010078430-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
WO-2010078430-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 US disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS DPYD, MKI67, TYMP MTNR1A 1366/4885MTNR1B 921/4885EPHX2 1854/4885

“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.