SCHEMBL865201

SCHEMBL865201

CC(Nc1ncnn2cccc12)c1cc2cccc(Cl)c2nc1NCCN1CCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIK3CD O00329 12/20 0.37
PIK3R2 O00459 7/20 0.37
PIK3CG P48736 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BRAF P15056 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
POLR1A O95602 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL865200 1.00 IRAK1 (0.39) IRAK1IRAK4MAP4K4PIK3CDPIK3R2
SCHEMBL863553 0.83 PIK3CD (0.49) IRAK1IRAK4PIK3CDPIK3R2PIK3CG
SCHEMBL865448 0.83 PIK3CD (0.43) IRAK1IRAK4PIK3CDPIK3R2PIK3CG
SCHEMBL865449 0.83 PIK3CD (0.43) IRAK1IRAK4PIK3CDPIK3R2PIK3CG
SCHEMBL863554 0.83 PIK3CD (0.49) IRAK1IRAK4PIK3CDPIK3R2PIK3CG
SCHEMBL864328 0.83 MAP4K4 (0.46) MAP4K4PIK3CDPIK3R2PIK3CGAAK1
SCHEMBL864327 0.83 MAP4K4 (0.46) MAP4K4PIK3CDPIK3R2PIK3CGAAK1
SCHEMBL863619 0.83 CCR4 (0.40) IRAK1IRAK4PIK3CD
SCHEMBL863618 0.83 CCR4 (0.40) IRAK1IRAK4PIK3CD
SCHEMBL865373 0.81 IRAK1 (0.39) IRAK1IRAK4PIK3CDPIK3R2ADORA2A

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-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 IRAK1 109/4885IRAK4 107/4885MAP4K4 34/4885

“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.