SCHEMBL864825

SCHEMBL864825

CC(=O)N1CCC(Nc2nc3c(Cl)cccc3cc2[C@H](C)Nc2ncnc3[nH]cnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
BTK Q06187 4/20 0.41
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
IRAK3 Q9Y616 1/20 0.41
PAK1 Q13153 5/20 0.40
SOS1 Q07889 6/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 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
SCHEMBL864826 1.00 PIK3CD (0.43) PIK3CDBTKIRAK1IRAK4IRAK3
SCHEMBL863665 0.91 BTK (0.47) PIK3CDBTKIRAK1IRAK4IRAK3
SCHEMBL863664 0.91 BTK (0.47) PIK3CDBTKIRAK1IRAK4IRAK3
SCHEMBL863329 0.89 PIK3CD (0.50) PIK3CDBTK
SCHEMBL863330 0.89 PIK3CD (0.50) PIK3CDBTK
SCHEMBL863822 0.86 PIK3CD (0.42) PIK3CDBTKSOS1
SCHEMBL863821 0.86 PIK3CD (0.42) PIK3CDBTKSOS1
SCHEMBL863823 0.86 PIK3CD (0.42) PIK3CDBTKSOS1
SCHEMBL863914 0.84 PIK3CD (0.40) PIK3CDBTKIRAK1IRAK4IRAK3
SCHEMBL863913 0.84 PIK3CD (0.40) PIK3CDBTKIRAK1IRAK4IRAK3

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 5 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
EP-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 WO 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 14/4885BTK 114/4885IRAK1 109/4885

“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.