SCHEMBL16421433

SCHEMBL16421433

CNc1ncc2cc(-c3ccc(-c4ncccc4C)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIK3 Q9Y2K2 11/20 1.00
SIK2 Q9H0K1 9/20 1.00
PAK1 Q13153 8/20 0.85
STK26 Q9P289 6/20 0.85
SIK1 P57059 4/20 0.85
PAK2 Q13177 2/20 0.85
MAP4K5 Q9Y4K4 2/20 0.85
PAK3 O75914 1/20 0.85
MAP2K4 P45985 1/20 0.85
TEK Q02763 1/20 0.85
MELK Q14680 1/20 0.85
PKN3 Q6P5Z2 1/20 0.85
NLK Q9UBE8 1/20 0.85
STK3 Q13188 5/20 0.75
STK24 Q9Y6E0 5/20 0.75
STK4 Q13043 4/20 0.75
STK25 O00506 1/20 0.75
LCK P06239 1/20 0.75

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
SCHEMBL16415445 1.00 SIK3 (1.00) SIK3SIK2PAK1STK26SIK1
SCHEMBL16419541 0.91 SIK3 (0.83) SIK3SIK2PAK1STK26SIK1
SCHEMBL16421423 0.86 SIK2 (1.00) SIK3SIK2PAK1STK26SIK1
SCHEMBL16414861 0.86 SIK2 (1.00) SIK3SIK2PAK1STK26SIK1
SCHEMBL26074242 0.86 SIK2 (1.00) SIK3SIK2PAK1STK26SIK1
SCHEMBL16414665 0.84 PAK1 (0.86) SIK3SIK2PAK1STK26SIK1
SCHEMBL16421442 0.84 PAK1 (0.86) SIK3SIK2PAK1STK26SIK1
SCHEMBL16414690 0.84 SIK3 (0.77) SIK3SIK2PAK1STK26SIK1
SCHEMBL16421432 0.84 SIK3 (0.77) SIK3SIK2PAK1STK26SIK1
SCHEMBL16414924 0.81 PAK1 (0.75) SIK3SIK2PAK1STK26SIK1

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-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 US disclosed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO 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-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 SIK3 149/4885SIK2 56/4885PAK1 1/4885

“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.