SCHEMBL864075

SCHEMBL864075

CNc1ncnc(NC(C)c2cc3cccc(Cl)c3nc2NCC(C)(C)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.41
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
PIK3CG P48736 1/20 0.32
IDH2 P48735 3/20 0.32
EGFR P00533 3/20 0.32
KRAS P01116 2/20 0.32
SOS1 Q07889 2/20 0.32
HTR7 P34969 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
IDH1 O75874 1/20 0.31
TNF P01375 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
SCHEMBL864074 1.00 PIK3CD (0.41) PIK3CDCCNE1CDK2CDK7CCNH
SCHEMBL864031 0.90 PIK3CD (0.46) PIK3CDCCNE1CDK2CDK7CCNH
SCHEMBL864030 0.90 PIK3CD (0.46) PIK3CDCCNE1CDK2CDK7CCNH
SCHEMBL863784 0.84 PIK3CD (0.38) PIK3CDCCNE1CDK2AURKARPS6KB1
SCHEMBL863707 0.84 PIK3CD (0.38) PIK3CDAURKARPS6KB1AURKBEGFR
SCHEMBL863706 0.84 PIK3CD (0.38) PIK3CDAURKARPS6KB1AURKBEGFR
SCHEMBL863783 0.84 PIK3CD (0.38) PIK3CDCCNE1CDK2AURKARPS6KB1
SCHEMBL863937 0.81 PIK3CD (0.49) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL863938 0.81 PIK3CD (0.49) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL864936 0.81 PIK3CD (0.50) PIK3CDAURKARPS6KB1AURKBPIK3CG

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 14/4885CCNE1 2050/4885CDK2 115/4885

“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.