SCHEMBL22970904

SCHEMBL22970904

c1cnc(Nc2ccc(N3CCOCC3)nn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.49
▸ CDK6 Q00534 2/20 0.49
▸ BPTF Q12830 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ IKBKE Q14164 1/20 0.47
▸ TBK1 Q9UHD2 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SYK P43405 2/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KARS1 Q15046 1/20 0.40
▸ CNR2 P34972 2/20 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
SCHEMBL22971212 0.87 BPTF (0.52) CDK4CDK6BPTFCHEK1CHEK2
SCHEMBL22970759 0.82 CDK4 (0.47) CDK4KDM4EIKBKETBK1ALDH1A1
SCHEMBL22971279 0.80 KARS1 (0.52) IKBKETBK1CHEK1CHEK2NPC1
SCHEMBL22971327 0.80 NPC1 (0.50) CDK4CDK6IKBKETBK1SYK
SCHEMBL22970768 0.78 CHEK1 (0.65) ALDH1A1SMN1; SMN2HTTCHEK1CHEK2
SCHEMBL22971426 0.78 CXCR4 (0.41) CDK4CDK6IKBKETBK1SMN1; SMN2
SCHEMBL30206206 0.76 PLK4 (0.59) KDM4ESMN1; SMN2HTTSYKNPC1
SCHEMBL22970972 0.75 NPC1 (0.43) CHEK1CHEK2NPC1RAB9AKARS1
SCHEMBL752497 0.74 KDM4E (0.45) CDK4CDK6BPTFKDM4EPKM
SCHEMBL5754979 0.73 ALDH1A1 (0.61) KDM4EPKMALDH1A1SMN1; SMN2HTT

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 CDK4 1078/4885CDK6 2017/4885BPTF 137/4885

“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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