SCHEMBL22686016

SCHEMBL22686016

O=C1OCCN1c1ccc2[nH]nc(-c3ccc4cc[nH]c4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
TNKS O95271 1/20 0.41
PIM1 P11309 4/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ATR Q13535 2/20 0.36
ATRIP Q8WXE1 1/20 0.36
RIPK2 O43353 1/20 0.36
LRRK2 Q5S007 2/20 0.35
IDH1 O75874 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL22685983 0.86 TNKS (0.47) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL22685979 0.82 TNKS (0.49) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL22686003 0.82 IDH1 (0.43) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL22685937 0.82 TNKS (0.48) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL22685984 0.82 MKNK1 (0.45) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL9324234 0.81 ALDH1A1 (0.43) CCNCCDK8TNKSMAPK1ATR
SCHEMBL22685936 0.81 MAPKAPK2 (0.43) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL22686000 0.81 TTK (0.46) CCNCCDK8TNKSPIM1FGFR1
SCHEMBL22685994 0.80 JAK2 (0.45) CCNCCDK8TNKSPIM1MAPK1
SCHEMBL22685957 0.78 MAP2K4 (0.54) CCNCCDK8PIM1MAP2K4LRRK2

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 CCNC 2119/4885CDK8 362/4885TNKS 165/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CCNC 2119/4885CDK8 362/4885TNKS 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.