SCHEMBL863913

SCHEMBL863913

CC(=O)N1CCC(Nc2nc3c(Cl)cccc3cc2[C@H](C)Nc2ncnc(N)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
SYK P43405 2/20 0.39
PAK1 Q13153 3/20 0.38
MAPK3 P27361 1/20 0.38
SOS1 Q07889 4/20 0.37
BTK Q06187 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CDK2 P24941 3/20 0.37
CCNA2 P20248 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
IRAK1 P51617 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
IRAK3 Q9Y616 1/20 0.37
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36

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
SCHEMBL863914 1.00 PIK3CD (0.40) PIK3CDSYKPAK1MAPK3SOS1
SCHEMBL715036 0.86 CNR2 (0.44) PIK3CDSOS1CNR2
SCHEMBL715035 0.86 CNR2 (0.44) PIK3CDSOS1CNR2
SCHEMBL864826 0.84 PIK3CD (0.43) PIK3CDPAK1SOS1BTKJAK2
SCHEMBL864825 0.84 PIK3CD (0.43) PIK3CDPAK1SOS1BTKJAK2
SCHEMBL863972 0.83 IRAK1 (0.41) SYKPAK1MAPK3BTKJAK2
SCHEMBL863973 0.83 IRAK1 (0.41) SYKPAK1MAPK3BTKJAK2
SCHEMBL864964 0.82 PIM1 (0.40) SYKMAPK3SOS1BTKJAK2
SCHEMBL715977 0.81 LRRK2 (0.44) PIK3CDPAK1SOS1CNR2
SCHEMBL715976 0.81 LRRK2 (0.44) PIK3CDPAK1SOS1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA PIK3CD 14/4885SYK 345/4885PAK1 367/4885

“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.