SCHEMBL863478

SCHEMBL863478

C[C@H](Nc1ncnc2sccc12)c1cc2cccc(Cl)c2nc1NCC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
TNF P01375 2/20 0.45
NOD1 Q9Y239 2/20 0.45
PIK3CD O00329 4/20 0.41
FADS1 O60427 1/20 0.40
FDPS P14324 1/20 0.37
NPC1 O15118 2/20 0.37
EGFR P00533 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL863479 1.00 RAB9A (0.45) RAB9ATNFNOD1PIK3CDFADS1
SCHEMBL864937 0.81 PIK3CD (0.50) TNFPIK3CDEGFRAURKARPS6KB1
SCHEMBL863938 0.81 PIK3CD (0.49) PIK3CDEGFRKDM4EAURKARPS6KB1
SCHEMBL864936 0.81 PIK3CD (0.50) TNFPIK3CDEGFRAURKARPS6KB1
SCHEMBL863937 0.81 PIK3CD (0.49) PIK3CDEGFRKDM4EAURKARPS6KB1
SCHEMBL864075 0.79 PIK3CD (0.41) TNFPIK3CDEGFRKDM4EAURKA
SCHEMBL864074 0.79 PIK3CD (0.41) TNFPIK3CDEGFRKDM4EAURKA
Formic Acid SCHEMBL865074 0.79 TNF (0.39) RAB9ATNFNOD1PIK3CDFADS1
Formic Acid SCHEMBL865075 0.79 TNF (0.39) RAB9ATNFNOD1PIK3CDFADS1
SCHEMBL864030 0.79 PIK3CD (0.46) TNFPIK3CDEGFRKDM4EMAPK1

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 RAB9A 1316/4885TNF 1114/4885NOD1 374/4885

“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.