SCHEMBL4877977

SCHEMBL4877977

Cc1nc(N2CC(NC(=O)OC(C)(C)C)C2)c(C#N)c(C(C)(C)C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
CTSK P43235 2/20 0.40
PDE10A Q9Y233 2/20 0.38
P2RY12 Q9H244 4/20 0.38
KCNA3 P22001 1/20 0.37
SUV39H2 Q9H5I1 4/20 0.36
DPP4 P27487 1/20 0.35
MAP4K4 O95819 2/20 0.35
RET P07949 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL4098247 0.79 KDM4E (0.53) JAK3BTKP2RY12SUV39H2KDM4E
SCHEMBL4877982 0.75 KDM4E (0.58) P2RY12KDM4E
SCHEMBL19734311 0.75 JAK3 (0.50) JAK3BTKCTSKPDE10AKCNA3
SCHEMBL29658714 0.75 JAK3 (0.50) JAK3BTKCTSKPDE10AKCNA3
SCHEMBL3933313 0.74 P2RY12 (0.64) P2RY12KDM4E
SCHEMBL4878271 0.74 KDM4E (0.54) P2RY12KDM4E
SCHEMBL4115267 0.72 P2RY12 (0.55) P2RY12KDM4E
SCHEMBL24951335 0.68 PDE10A (0.56) BTKPDE10AMAP4K4CKS1BSKP1
SCHEMBL30202103 0.68 PDE10A (0.56) BTKPDE10AMAP4K4CKS1BSKP1
SCHEMBL30819455 0.68 PDE10A (0.56) BTKPDE10AMAP4K4CKS1BSKP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 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 (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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 JAK3 758/4885BTK 175/4885CTSK 4362/4885

“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.