SCHEMBL864113

SCHEMBL864113

C=CCN(C)c1nc2c(C)cccc2cc1[C@H](C)Nc1ncnc2c1ncn2COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.36
CDK1 P06493 1/20 0.33
CDK5 Q00535 1/20 0.33
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL864114 1.00 PIK3CD (0.36) PIK3CDCDK1CDK5NPC1HPGD
SCHEMBL864806 0.76 PIK3CD (0.42) PIK3CD
SCHEMBL864807 0.76 PIK3CD (0.42) PIK3CD
SCHEMBL863531 0.71 HTT (0.37) PIK3CDCDK1CDK5NPC1RAB9A
SCHEMBL863532 0.71 HTT (0.37) PIK3CDCDK1CDK5NPC1RAB9A
SCHEMBL864018 0.70 BRAF (0.34)
SCHEMBL864017 0.70 BRAF (0.34)
SCHEMBL863772 0.69 BRAF (0.36) RAB9A
SCHEMBL863773 0.69 BRAF (0.36) RAB9A
SCHEMBL863779 0.67 ATM (0.36) PIK3CDCDK1CDK5

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
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 14/4885CDK1 120/4885CDK5 92/4885

“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.