SCHEMBL22708149

SCHEMBL22708149

O=C1OCCN1c1ccc2[nH]nc(-c3cc4cc(Cl)ccc4[nH]3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 11/20 0.51
CHEK1 O14757 6/20 0.47
ITK Q08881 3/20 0.43
CDK7 P50613 4/20 0.42

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
SCHEMBL22685952 0.93 ITK (0.49) IDH1CHEK1ITK
SCHEMBL22685995 0.88 ITK (0.57) CHEK1ITK
SCHEMBL22685965 0.85 ITK (0.57) IDH1CHEK1ITKCDK7
SCHEMBL22686003 0.84 IDH1 (0.43) IDH1
SCHEMBL22685967 0.83 PIM1 (0.41) IDH1CHEK1ITKCDK7
SCHEMBL22685966 0.83 ITK (0.42) IDH1ITK
SCHEMBL22685948 0.82 ITK (0.55) CHEK1ITK
SCHEMBL22685994 0.81 JAK2 (0.45) IDH1
SCHEMBL22685968 0.81 ITK (0.56) CHEK1ITK
SCHEMBL22685984 0.77 MKNK1 (0.45)

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 2 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-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 IDH1 1375/4885CHEK1 334/4885ITK 636/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 IDH1 1375/4885CHEK1 334/4885ITK 636/4885

“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.