SCHEMBL17503791

SCHEMBL17503791

CC(C)CCOc1nc(O)c2ccncc2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 10/20 0.38
▸ LATS2 Q9NRM7 9/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ KDM4C Q9H3R0 5/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33

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
SCHEMBL17503666 0.86 KDM4C (0.42) LATS1LATS2KDM4CKDM4EKDM4A
SCHEMBL17503682 0.85 CSNK2A2 (0.39) LATS1LATS2KDM4CKDM4EKDM4A
SCHEMBL17517204 0.85 PDE5A (0.44) LATS1LATS2KDM4C
SCHEMBL17503824 0.83 LATS1 (0.39) LATS1LATS2KDM4C
SCHEMBL17503742 0.83 LATS1 (0.44) LATS1LATS2KDM4C
SCHEMBL16095427 0.81 KDM4C (0.50) LATS1LATS2KDM4CKDM4E
SCHEMBL17503830 0.80 HRH3 (0.39) LATS1LATS2KDM4C
SCHEMBL17503801 0.80 KDM4C (0.39) LATS1LATS2KDM4CTLR8
SCHEMBL17503673 0.80 LATS1 (0.39) LATS1LATS2KDM4C
SCHEMBL17503669 0.80 LATS1 (0.36) LATS1LATS2KDM4CKDM4EKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US claimed
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — 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 (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-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C LATS1 4166/4885LATS2 4386/4885IDO1 262/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C LATS1 4166/4885LATS2 4386/4885IDO1 262/4885

“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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