SCHEMBL22685995

SCHEMBL22685995

O=C1OCCN1c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.57
CHEK1 O14757 1/20 0.43
TNKS O95271 1/20 0.43

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
SCHEMBL22685948 0.94 ITK (0.55) ITKCHEK1
SCHEMBL22708149 0.88 IDH1 (0.51) ITKCHEK1
SCHEMBL22685952 0.87 ITK (0.49) ITKCHEK1
SCHEMBL22685967 0.85 PIM1 (0.41) ITKCHEK1TNKS
SCHEMBL22685965 0.85 ITK (0.57) ITKCHEK1
SCHEMBL22685966 0.85 ITK (0.42) ITKTNKS
SCHEMBL22685968 0.84 ITK (0.56) ITKCHEK1
SCHEMBL22685937 0.83 TNKS (0.48) TNKS
SCHEMBL22685983 0.83 TNKS (0.47) ITKTNKS
SCHEMBL22685936 0.82 MAPKAPK2 (0.43) ITKTNKS

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 636/4885CHEK1 334/4885TNKS 165/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 ITK 636/4885CHEK1 334/4885TNKS 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.