SCHEMBL1877100

SCHEMBL1877100

Cc1nc(N)nc(O[C@@H](C)c2cc3cccc(C)c3nc2-c2cccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPY5R Q15761 1/20 0.33
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
PIK3CA P42336 2/20 0.32
MEN1 O00255 2/20 0.32
PSIP1 O75475 1/20 0.32
AXL P30530 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
SCHEMBL1877108 1.00 PIK3CD (0.41) PIK3CDCYP2A6ADORA2AADORA1KDM4E
SCHEMBL1882958 0.89 PIK3CD (0.46) PIK3CDADORA2AADORA1KDM4ELMNA
SCHEMBL1882961 0.89 PIK3CD (0.46) PIK3CDADORA2AADORA1KDM4ELMNA
SCHEMBL1886844 0.84 PIK3CD (0.41) PIK3CDCYP2A6ADORA2AADORA1KDM4E
SCHEMBL1882072 0.83 PIK3CD (0.39) PIK3CDATMPIK3CAAXL
SCHEMBL1882069 0.83 PIK3CD (0.39) PIK3CDATMPIK3CAAXL
SCHEMBL1887143 0.83 PIK3CD (0.53) PIK3CDADORA2ASMN1; SMN2ATMALDH1A1
SCHEMBL1887147 0.83 PIK3CD (0.53) PIK3CDADORA2ASMN1; SMN2ATMALDH1A1
SCHEMBL1881480 0.82 PIK3CD (0.41) PIK3CDCYP2A6ADORA2AADORA1KDM4E
SCHEMBL1875421 0.79 CYP2A6 (0.40) PIK3CDCYP2A6ADORA2AADORA1KDM4E

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 8/4885CYP2A6 2275/4885ADORA2A 1938/4885

“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.