SCHEMBL1882958

SCHEMBL1882958

Cc1nc(N)nc(O[C@@H](C)c2cc3cccc(C)c3nc2-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.46
ATM Q13315 1/20 0.38
ADORA1 P30542 10/20 0.34
ADORA2A P29274 9/20 0.34
ADORA2B P29275 2/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
DHFR P00374 1/20 0.33
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 1/20 0.32
JAK2 O60674 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CTSG P08311 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1882961 1.00 PIK3CD (0.46) PIK3CDATMADORA1ADORA2AADORA2B
SCHEMBL1887147 0.89 PIK3CD (0.53) PIK3CDATMADORA2ADHFRALDH1A1
SCHEMBL1887143 0.89 PIK3CD (0.53) PIK3CDATMADORA2ADHFRALDH1A1
SCHEMBL1877100 0.89 PIK3CD (0.41) PIK3CDATMADORA1ADORA2AKDM4E
SCHEMBL1877108 0.89 PIK3CD (0.41) PIK3CDATMADORA1ADORA2AKDM4E
SCHEMBL1882072 0.85 PIK3CD (0.39) PIK3CDATMPIK3CG
SCHEMBL1882069 0.85 PIK3CD (0.39) PIK3CDATMPIK3CG
SCHEMBL1876302 0.83 PIK3CD (0.46) PIK3CDATMADORA1ADORA2AADORA2B
SCHEMBL1882135 0.82 PIK3CD (0.40) PIK3CDATM
SCHEMBL1882140 0.82 PIK3CD (0.40) PIK3CDATM

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-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE PIK3CD 8/4885ATM 545/4885ADORA1 3048/4885

“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.