SCHEMBL24437323

SCHEMBL24437323

O=C(Nc1ccncc1F)c1cn(CC2CC2)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.42
▸ PDE6A P16499 1/20 0.42
▸ PDE6G P18545 1/20 0.42
▸ PDE6B P35913 1/20 0.42
▸ PDE6C P51160 1/20 0.42
▸ PDE6H Q13956 1/20 0.42
▸ CHRM1 P11229 12/20 0.42
▸ CNR1 P21554 3/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FGFR4 P22455 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE7A Q13946 1/20 0.39

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
SCHEMBL24437274 0.86 CNR1 (0.51) CNR1CNR2L3MBTL1
SCHEMBL24437232 0.84 HTR3A (0.46) CNR1CNR2KDM4ENPC1RAB9A
SCHEMBL24437144 0.84 CNR1 (0.54) CNR1CNR2
SCHEMBL24437154 0.84 DYRK1A (0.49) CHRM1CNR1CNR2L3MBTL1
SCHEMBL24437195 0.84 CNR1 (0.42) CHRM1CNR1CNR2L3MBTL1
SCHEMBL24437315 0.78 CNR1 (0.45) CNR1CNR2
SCHEMBL24437121 0.77 CHRM1 (0.39) CHRM1CNR1CNR2
SCHEMBL24437278 0.76 PDE6D (0.45) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL24437163 0.74 CNR1 (0.51) CNR1CNR2RAB9AL3MBTL1
SCHEMBL24437316 0.72 CNR1 (0.53) CNR1CNR2NPC1RAB9APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — 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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 PDE6D 2069/4885PDE6A 3071/4885PDE6G 2436/4885

“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.

Send feedback