SCHEMBL863780

SCHEMBL863780

C=CCN(C)c1nc2c(C)cccc2cc1C(C)N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
PIK3CD O00329 16/20 0.35
CDK1 P06493 2/20 0.35
CDK5 Q00535 2/20 0.35

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
SCHEMBL863779 1.00 ATM (0.36) ATMPIK3CDCDK1CDK5
SCHEMBL863366 0.79 PIK3CD (0.35) ATMPIK3CDCDK1CDK5
SCHEMBL864806 0.77 PIK3CD (0.42) PIK3CD
SCHEMBL864807 0.77 PIK3CD (0.42) PIK3CD
SCHEMBL3656008 0.70 DRD4 (0.45) ATMPIK3CD
SCHEMBL717941 0.70 DRD4 (0.45) ATMPIK3CD
SCHEMBL15184812 0.67 PIK3CD (0.39) PIK3CD
SCHEMBL15184813 0.67 PIK3CD (0.39) PIK3CD
SCHEMBL25847026 0.65 GABRA1 (0.34)
SCHEMBL845236 0.64 ALOX15 (0.59) PIK3CD

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 ATM 357/4885PIK3CD 14/4885CDK1 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.