SCHEMBL17898986

SCHEMBL17898986

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.43
▸ TOP2A P11388 1/20 0.42
▸ CSNK1D P48730 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 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
SCHEMBL17898982 0.85 TOP2A (0.42) TOP2ADYRK1AMETP2RX7ALOX15
SCHEMBL17891711 0.85 KDM4C (0.42) TOP2ACSNK1DMETP2RX7ALOX15
SCHEMBL30589236 0.85 KDM4C (0.42) TOP2ACSNK1DMETP2RX7ALOX15
SCHEMBL17898987 0.83 MMP13 (0.46) CES2TOP2AALOX15L3MBTL1MEN1
SCHEMBL17898984 0.81 TOP2A (0.43) CES2TOP2ACSNK1DCDC7PLK4
SCHEMBL17891695 0.80 KDM4C (0.43) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL30589250 0.80 KDM4C (0.43) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL17898992 0.79 KDM5B (0.48) CES2TOP2ACSNK1DCDC7PLK4
SCHEMBL17898985 0.78 KDM4C (0.44) CES2TOP2ACSNK1DCDC7PLK4
SCHEMBL17898993 0.77 CES2 (0.41) CES2TOP2ACSNK1DCDC7PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B CES2 1984/4885TOP2A 517/4885CSNK1D 1494/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B CES2 1984/4885TOP2A 517/4885CSNK1D 1494/4885

“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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