SCHEMBL17891711

SCHEMBL17891711

COc1ccc(Cn2nnc(-c3ccnc(CO)c3)c2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ AKR1C3 P42330 4/20 0.41
▸ AKR1C2 P52895 1/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ MET P08581 2/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ MMP13 P45452 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL30589236 1.00 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17898986 0.85 CES2 (0.43) AKR1C3TOP2AMETCSNK1DCSNK1E
SCHEMBL17891747 0.85 MMP13 (0.47) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17891695 0.84 KDM4C (0.43) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL30589250 0.84 KDM4C (0.43) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL19383312 0.84 AKR1C3 (0.48) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17891750 0.83 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL30589229 0.83 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL19383415 0.81 KDM5B (0.54) KDM4CKDM5BAKR1C3METHSP90AA1
SCHEMBL17891696 0.80 KDM5B (0.49) KDM4CKDM5BAKR1C3AKR1C2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 — — EP disclosed
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 — — EP disclosed
EP-3436445-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2019-02-06 — — EP disclosed
US-10174003-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 — — US disclosed
US-10174003-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 — — US disclosed
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 — — US disclosed
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 — — US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 — — US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 — — US disclosed
WO-2017161033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 — — WO disclosed
WO-2017161033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 — — WO disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 — — 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 (3 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-10174003-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B KDM4C 14/4885KDM5B 11/4885AKR1C3 2994/4885
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 14/4885KDM5B 11/4885AKR1C3 2994/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 14/4885KDM5B 11/4885AKR1C3 2994/4885

“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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