SCHEMBL22970768

SCHEMBL22970768

c1cnc(Nc2cc(N3CCOCC3)ncn2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.65
▸ CHEK2 O96017 1/20 0.65
▸ ABL1 P00519 1/20 0.51
▸ BCR P11274 1/20 0.51
▸ PIK3CB P42338 1/20 0.50
▸ NPC1 O15118 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ KDR P35968 2/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ EGFR P00533 2/20 0.46
▸ ERBB3 P21860 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ KMO O15229 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ TYK2 P29597 1/20 0.44

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
SCHEMBL22970759 0.82 CDK4 (0.47) CHEK1CHEK2NPC1ALDH1A1RAB9A
SCHEMBL619576 0.82 CHEK1 (0.76) CHEK1CHEK2KDRJAK2
SCHEMBL619708 0.79 CHEK1 (1.00) CHEK1CHEK2KDRJAK2
SCHEMBL22970904 0.78 CDK4 (0.49) CHEK1CHEK2NPC1ALDH1A1RAB9A
SCHEMBL22971279 0.77 KARS1 (0.52) CHEK1CHEK2NPC1RAB9ACYP2C19
SCHEMBL1597538 0.75 PIK3CB (0.58) ABL1BCRPIK3CBNPC1ALDH1A1
SCHEMBL5029660 0.75 PIK3CB (0.58) ABL1BCRPIK3CBNPC1ALDH1A1
SCHEMBL27330852 0.75 ABL1 (0.66) ABL1BCRPIK3CBNPC1ALDH1A1
SCHEMBL22970972 0.75 NPC1 (0.43) CHEK1CHEK2NPC1RAB9ATP53
SCHEMBL22971327 0.74 NPC1 (0.50) NPC1RAB9AEGFRJAK2TYK2

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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 — — 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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 CHEK1 981/4885CHEK2 1389/4885ABL1 1994/4885

“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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