SCHEMBL16474232

SCHEMBL16474232

Cc1ccccc1-c1nocc1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
PTPRC P08575 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 1/20 0.34
NR4A2 P43354 1/20 0.34
GABRA5 P31644 2/20 0.34
AKR1B1 P15121 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL15619125 0.77 MTNR1A (0.43) MTNR1AMTNR1BL3MBTL1BRD4GABRA5
SCHEMBL404007 0.75 TDP2 (0.42) BRD4
SCHEMBL12318344 0.75 MTNR1A (0.48) MTNR1AMTNR1BL3MBTL1ALDH1A1
Nitrogen SCHEMBL28021202 0.72 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL9863289 0.71 MTNR1A (0.52) MTNR1AMTNR1BPTPRCL3MBTL1KDM4E
SCHEMBL10191572 0.71 GPBAR1 (0.44) RXRARXRBRXRGGPBAR1KDM4E
SCHEMBL15619422 0.71 MTNR1A (0.37) MTNR1AMTNR1BL3MBTL1GABRA5KDM4E
SCHEMBL27962601 0.69 LMNA (0.35) L3MBTL1RXRARXRBRXRGNR4A2
SCHEMBL405942 0.69 TSHR (0.50) L3MBTL1GPBAR1KDM4EALDH1A1
SCHEMBL402940 0.68 MCL1 (0.49) RXRARXRBRXRGGPBAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MTNR1A 3405/4885MTNR1B 3436/4885PTPRC 228/4885

“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.