SCHEMBL864839

SCHEMBL864839

CC(=O)NCCNc1nc2c(Cl)cccc2cc1C(C)Nc1ncnc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.46
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C19 P33261 6/20 0.41
CLK4 Q9HAZ1 6/20 0.41
HIF1A Q16665 3/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CG P48736 3/20 0.37
PIK3R2 O00459 3/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
USP2 O75604 4/20 0.35
HSD17B10 Q99714 4/20 0.35
LMNA P02545 1/20 0.35
ABCB11 O95342 1/20 0.35
TBXA2R P21731 1/20 0.35
PIK3R1 P27986 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
SCHEMBL864838 1.00 PIK3CD (0.46) PIK3CDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL864804 0.89 PIK3CD (0.49) PIK3CDCYP3A4PIK3CGPIK3R2AURKA
SCHEMBL864803 0.89 PIK3CD (0.49) PIK3CDCYP3A4PIK3CGPIK3R2AURKA
SCHEMBL863564 0.87 PIK3CD (0.48) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863563 0.87 PIK3CD (0.48) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863368 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863369 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863660 0.85 PIK3CD (0.48) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL864404 0.85 PIK3CD (0.48) PIK3CDPIK3CGALDH1A1LMNAABCB11
SCHEMBL863661 0.85 PIK3CD (0.48) PIK3CDPIK3CGAURKARPS6KB1AURKB

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 14/4885CYP1A2 2026/4885CYP3A4 1144/4885

“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.