SCHEMBL17503830

SCHEMBL17503830

CN(C)CCCOc1nc(O)c2ccncc2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ LATS1 O95835 6/20 0.38
▸ LATS2 Q9NRM7 5/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTR1B P28222 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL19158161 0.85 HRH3 (0.45) HRH3TOP2ALATS1LATS2CHRNB2
SCHEMBL17517204 0.83 PDE5A (0.44) LATS1LATS2KDM4C
SCHEMBL17503686 0.83 CCNC (0.41) LATS1LATS2KDM4C
SCHEMBL17503824 0.82 LATS1 (0.39) LATS1LATS2KDM4C
SCHEMBL17503742 0.82 LATS1 (0.44) LATS1LATS2KDM4C
SCHEMBL16095427 0.80 KDM4C (0.50) LATS1LATS2KDM4C
SCHEMBL17503791 0.80 LATS1 (0.38) LATS1LATS2KDM4C
SCHEMBL17503734 0.80 LATS1 (0.37) LATS1LATS2KDM4C
SCHEMBL17503673 0.79 LATS1 (0.39) LATS1LATS2KDM4C
SCHEMBL17503760 0.79 KDM4C (0.35) LATS1LATS2KDM4C

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 HRH3 433/4885TOP2A 369/4885LATS1 4166/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C HRH3 433/4885TOP2A 369/4885LATS1 4166/4885

“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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