SCHEMBL13764322

SCHEMBL13764322

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3c(Br)c(-c4ccc(Cl)cc4)nc23)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ ANO1 Q5XXA6 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ USP30 Q70CQ3 3/20 0.38
▸ BTK Q06187 2/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13764317 0.84 CHEK1 (0.47) PIK3CDCNR1CNR2ALOX5ANO1
SCHEMBL13764318 0.78 CHEK1 (0.49) PIK3CDCNR1CNR2ALOX5ANO1
SCHEMBL13776782 0.75 CHEK1 (0.49) PIK3CDCNR1CNR2ALOX5ANO1
SCHEMBL26447571 0.74 GPR119 (0.45) PIK3CDHDAC4HDAC6USP30JAK3
SCHEMBL16797316 0.74 MAPK1 (0.50) PIK3CDCNR1CNR2HDAC4HDAC6
SCHEMBL30034326 0.74 MAPK1 (0.50) PIK3CDCNR1CNR2HDAC4HDAC6
SCHEMBL13764319 0.73 CNR1 (0.47) PIK3CDCNR1CNR2ALOX5ANO1
SCHEMBL6523004 0.72 IGF1R (0.45) PIK3CDCNR1CNR2ANO1HDAC4
SCHEMBL20155254 0.72 IGF1R (0.45) PIK3CDCNR1CNR2ANO1HDAC4
SCHEMBL6523000 0.72 IGF1R (0.45) PIK3CDCNR1CNR2ANO1HDAC4

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-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 — — US disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 — — 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-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS CHEK1, CHEK2, CDKN1A PIK3CD 283/4885CNR1 2724/4885CNR2 2858/4885

“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.

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