SCHEMBL863618

SCHEMBL863618

C[C@H](Nc1ncnc2c1cnn2C)c1cc2cccc(Cl)c2nc1NCCN1CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.40
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 5/20 0.37
LMNA P02545 3/20 0.37
SOS1 Q07889 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL863619 1.00 CCR4 (0.40) CCR4IRAK1IRAK4KDM4EMAPT
SCHEMBL865448 0.84 PIK3CD (0.43) IRAK1IRAK4PIK3CD
SCHEMBL863553 0.84 PIK3CD (0.49) IRAK1IRAK4PIK3CD
SCHEMBL865449 0.84 PIK3CD (0.43) IRAK1IRAK4PIK3CD
SCHEMBL863554 0.84 PIK3CD (0.49) IRAK1IRAK4PIK3CD
SCHEMBL865201 0.83 IRAK1 (0.39) IRAK1IRAK4PIK3CD
SCHEMBL865200 0.83 IRAK1 (0.39) IRAK1IRAK4PIK3CD
SCHEMBL865372 0.81 IRAK1 (0.39) IRAK1IRAK4PIK3CD
SCHEMBL865373 0.81 IRAK1 (0.39) IRAK1IRAK4PIK3CD
SCHEMBL863649 0.79 IRAK1 (0.39) IRAK1IRAK4PIK3CD

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 CCR4 4014/4885IRAK1 109/4885IRAK4 107/4885

“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.