SCHEMBL5489770

SCHEMBL5489770

FC(F)(F)c1ccc(Nc2ncnc3c2ncn3-c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.52
PI4K2B Q8TCG2 2/20 0.52
PI4K2A Q9BTU6 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
CNR1 P21554 2/20 0.48
TRPV1 Q8NER1 5/20 0.46
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL14431704 0.88 CCNB2 (0.49) PI4KAPI4K2BPI4K2API4KBCNR1
SCHEMBL5470970 0.83 TRPV1 (0.53) TRPV1
SCHEMBL2681825 0.81 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL5479505 0.80 CCNB2 (0.55) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL28496042 0.79 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL20551317 0.78 CCNE2 (0.45) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL5472887 0.77 CCNB2 (0.52) PI4KAPI4K2BPI4K2API4KBTRPV1
SCHEMBL31061395 0.75 EGFR (0.59) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL5486053 0.74 CCNB2 (0.52) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL5490074 0.73 ALDH1A1 (0.53) TRPV1KDM4EHTTHSD17B10LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 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-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 PI4KA 3012/4885PI4K2B 3297/4885PI4K2A 3369/4885

“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.