SCHEMBL5858769

SCHEMBL5858769

N=C(N)CCn1c(Cn2nnc3ccccc32)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SLC9A1 P19634 4/20 0.46
GRM2 Q14416 2/20 0.46
EGLN3 Q9H6Z9 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTK2 Q05397 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5861837 0.86 HPGD (0.44) KCNMA1GAAHPGDLMNAKMT2A
SCHEMBL5859932 0.83 SLC9A1 (0.51) KCNMA1GAAHPGDLMNAKMT2A
SCHEMBL5861811 0.79 SLC9A1 (0.65) GAAHPGDKMT2ATSHRSLC9A1
SCHEMBL5859675 0.78 TSHR (0.52) KCNMA1GAAHPGDLMNAKMT2A
SCHEMBL5858757 0.78 SLC9A1 (0.48) KCNMA1GAAHPGDLMNAKMT2A
SCHEMBL5858823 0.78 POLB (0.48) KCNMA1GAAHPGDLMNAKMT2A
SCHEMBL5859138 0.78 TSHR (0.65) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5859945 0.78 SLC9A1 (0.48) KCNMA1GAAHPGDLMNAKMT2A
SCHEMBL5858830 0.77 GRM2 (0.69) LMNAKMT2AALDH1A1TP53TSHR
Iodide SCHEMBL5861908 0.77 TSHR (0.47) KCNMA1GAAHPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030140-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-6908936-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20050038085-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2005-02-17 US disclosed
US-20030139450-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2003-07-24 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 (2 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-20050038085-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L KCNMA1 4710/4885GAA 103/4885HPGD 4338/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L KCNMA1 4710/4885GAA 103/4885HPGD 4338/4885

“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.