SCHEMBL22686006

SCHEMBL22686006

O=C1OC[C@H](c2ccccc2)N1c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.49
QPCT Q16769 1/20 0.46
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FGFR1 P11362 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
SCHEMBL22685939 1.00 ITK (0.49) ITKQPCTTNKSTNKS2HDAC1
SCHEMBL22685938 1.00 ITK (0.49) ITKQPCTTNKSTNKS2HDAC1
SCHEMBL22685950 0.87 ITK (0.54) ITKFGFR1
SCHEMBL22685970 0.87 ITK (0.54) ITKFGFR1
SCHEMBL22685949 0.87 ITK (0.54) ITKFGFR1
SCHEMBL22685974 0.84 ITK (0.48) ITKFGFR1
SCHEMBL22685986 0.84 ITK (0.51) ITKFGFR1
SCHEMBL22685987 0.84 ITK (0.48) ITKFGFR1
SCHEMBL22685988 0.84 ITK (0.51) ITKFGFR1
SCHEMBL22685973 0.84 ITK (0.48) ITKFGFR1

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
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 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 (2 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 ITK 636/4885QPCT 3380/4885TNKS 165/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 ITK 636/4885QPCT 3380/4885TNKS 165/4885

“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.