SCHEMBL22970972

SCHEMBL22970972

c1cnc(Nc2cc(N3CCOCC3)cnn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHEK1 O14757 9/20 0.41
▸ KARS1 Q15046 1/20 0.40
▸ IGF1R P08069 2/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL22971327 0.78 NPC1 (0.50) NPC1RAB9AIGF1RMAPK10PLK4
SCHEMBL30206206 0.78 PLK4 (0.59) NPC1RAB9AIGF1RMAPK10PLK4
SCHEMBL22970759 0.75 CDK4 (0.47) NPC1RAB9ACHEK1KARS1CHEK2
SCHEMBL22970904 0.75 CDK4 (0.49) NPC1RAB9ACHEK1KARS1CHEK2
SCHEMBL22970768 0.75 CHEK1 (0.65) NPC1RAB9ACHEK1CHEK2TP53
SCHEMBL22971435 0.72 KDM4E (0.41) NPC1RAB9ACHEK1KARS1CHEK2
SCHEMBL10086655 0.71 KDM4E (0.55) MAPK10PLK4MAPTPIK3CA
SCHEMBL22971279 0.71 KARS1 (0.52) NPC1RAB9ACHEK1KARS1CHEK2
SCHEMBL22970965 0.71 KARS1 (0.49) CHEK1KARS1CHEK2HRH4
SCHEMBL30008119 0.70 JAK2 (0.66) CHEK1MAPK10PLK4MAPK1

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 NPC1 2871/4885RAB9A 3697/4885CHEK1 981/4885

“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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