SCHEMBL864812

SCHEMBL864812

CCN(CC)c1nc2cc(F)ccc2cc1C(C)c1nc(N)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.38
PIK3CD O00329 10/20 0.38
KCNH2 Q12809 4/20 0.37
HRH4 Q9H3N8 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CLK1 P49759 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL863980 0.79 MAPT (0.30)
SCHEMBL864259 0.78 PIK3CD (0.41) TERTPIK3CDKCNH2
SCHEMBL15184790 0.78 PIK3CD (0.41) TERTPIK3CDKCNH2
SCHEMBL15184736 0.76 SMN1; SMN2 (0.41) TERTPIK3CDKCNH2HRH4
SCHEMBL864258 0.71 TERT (0.32) TERTPIK3CD
SCHEMBL864011 0.69 PIK3CD (0.48) PIK3CD
SCHEMBL864012 0.69 PIK3CD (0.48) PIK3CD
SCHEMBL14873074 0.65 BACE1 (0.40) PIK3CD
SCHEMBL13949449 0.64 ALOX15 (0.42) TERTALDH1A1L3MBTL1
SCHEMBL248441 0.64 HTR2C (0.37) PIK3CDKCNH2HRH4

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 TERT 4073/4885PIK3CD 14/4885KCNH2 875/4885

“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.