SCHEMBL24437154

SCHEMBL24437154

O=C(Nc1ccncc1F)c1cn(CC2CC2)c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CNR1 P21554 3/20 0.41
▸ KDM4C Q9H3R0 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ CNR2 P34972 3/20 0.38
▸ NFATC1 O95644 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MET P08581 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FLT1 P17948 1/20 0.36
▸ KDR P35968 1/20 0.36

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 0.92 CNR1 (0.51) CNR1CNR2LMNAHTTSMN1; SMN2
SCHEMBL24437195 0.92 CNR1 (0.42) DYRK1AKCNH2CNR1KDM4CCHRM1
SCHEMBL24437144 0.88 CNR1 (0.54) CNR1CNR2
SCHEMBL24437323 0.84 PDE6D (0.42) CNR1CHRM1CNR2L3MBTL1
SCHEMBL24437232 0.84 HTR3A (0.46) CNR1CNR2LMNAHTTSMN1; SMN2
SCHEMBL24437315 0.83 CNR1 (0.45) CNR1CNR2
SCHEMBL24437121 0.81 CHRM1 (0.39) CNR1KDM4CCHRM1ROCK2CNR2
SCHEMBL24437163 0.79 CNR1 (0.51) CNR1CNR2HTTSMN1; SMN2L3MBTL1
SCHEMBL1606610 0.79 KCNH2 (0.47) DYRK1AKCNH2CNR1CNR2LMNA
SCHEMBL24437268 0.79 DYRK1A (0.60) DYRK1AKCNH2CNR1KDM4CCNR2

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 DYRK1A 4541/4885KCNH2 69/4885CNR1 940/4885

“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.

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