SCHEMBL864409

SCHEMBL864409

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NC[C@@H](O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.47
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
PIK3CG P48736 3/20 0.35
PIK3R2 O00459 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
ABCB11 O95342 1/20 0.34
TBXA2R P21731 1/20 0.34
PIK3R1 P27986 1/20 0.34
HTR2A P28223 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PDE3A Q14432 1/20 0.34
EGFR P00533 1/20 0.34
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL863612 1.00 PIK3CD (0.47) PIK3CDCHEK1CDK1KCNJ5KCNJ3
SCHEMBL863613 1.00 PIK3CD (0.47) PIK3CDCHEK1CDK1KCNJ5KCNJ3
SCHEMBL864803 0.88 PIK3CD (0.49) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL864804 0.88 PIK3CD (0.49) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863368 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863369 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863563 0.85 PIK3CD (0.48) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL864936 0.85 PIK3CD (0.50) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL863564 0.85 PIK3CD (0.48) PIK3CDPIK3CGPIK3R2AURKARPS6KB1
SCHEMBL864937 0.85 PIK3CD (0.50) PIK3CDPIK3CGPIK3R2AURKARPS6KB1

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 14/4885CHEK1 116/4885CDK1 120/4885

“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.