SCHEMBL22872893

SCHEMBL22872893

c1cnc2c(NC3CCCCC3)ncnc2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
EGFR P00533 1/20 0.48
ADORA1 P30542 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
HPGDS O60760 1/20 0.46

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
SCHEMBL22872852 0.81 KMT2A (0.49) KDM4EGAAADORA1ADORA3ADORA2A
SCHEMBL22411411 0.79 KMT2A (0.47) KDM4EGAAADORA1ADORA3ADORA2A
SCHEMBL27504590 0.78 PDE5A (0.58) MAP4K4KDM4EHPGDS
SCHEMBL22872924 0.78 GBA1 (0.49) EGFR
SCHEMBL22872836 0.75 AURKA (0.50) EGFR
SCHEMBL12276231 0.75 MAP4K4 (0.54) MAP4K4EGFRADORA1ADORA3ADORA2A
SCHEMBL22428786 0.74 GPR39 (0.48) KDM4EGAAADORA1ADORA3ADORA2A
SCHEMBL3728202 0.74 LMNA (0.54) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL22872824 0.74 HDAC1 (0.42) EGFRADORA2A
SCHEMBL22872905 0.74 LATS1 (0.60) KDM4E

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
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 MAP4K4 2611/4885KDM4E 3118/4885GAA 3315/4885

“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.