SCHEMBL863354

SCHEMBL863354

CNc1nc2c(Cl)cccc2cc1C(C)c1nc(N)nc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
PTPN1 P18031 6/20 0.38
NUDT1 P36639 1/20 0.37
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
NR4A2 P43354 3/20 0.33
DRD2 P14416 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL864009 0.84 PIK3CD (0.41) PIK3CDNR4A2DRD2HTR7HTR6
SCHEMBL15184781 0.81 CYP1A2 (0.44) PIK3CDPTPN1NUDT1NR4A2
SCHEMBL15184780 0.81 CYP1A2 (0.44) PIK3CDPTPN1NUDT1NR4A2
Hydrochloric Acid SCHEMBL859316 0.80 LMNA (0.45) PIK3CDPTPN1NUDT1NR4A2
Hydrochloric Acid SCHEMBL859317 0.80 LMNA (0.45) PIK3CDPTPN1NUDT1NR4A2
SCHEMBL864792 0.77 PIK3CD (0.45) PIK3CDPTPN1NUDT1NR4A2
SCHEMBL15184811 0.77 PIK3CD (0.45) PIK3CDPTPN1NUDT1NR4A2
SCHEMBL15184786 0.75 PIK3CD (0.49) PIK3CDPTPN1EGFRKDR
SCHEMBL864754 0.72 PIK3CD (0.38) PIK3CDNR4A2
SCHEMBL717069 0.72 HTR7 (0.38) PIK3CDDRD2HTR7HTR6HTR1A

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
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP 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 14/4885PTPN1 711/4885NUDT1 1985/4885

“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.