SCHEMBL17898982

SCHEMBL17898982

COc1ccc(Cn2nnc(C)c2-c2ccnc(CO)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.42
▸ MET P08581 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AKR1C3 P42330 5/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ PDE8B O95263 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL17898986 0.85 CES2 (0.43) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL17891695 0.85 KDM4C (0.43) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL30589250 0.85 KDM4C (0.43) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL17898983 0.84 MMP13 (0.46) TOP2AALOX15L3MBTL1MEN1KMT2A
SCHEMBL17898981 0.82 TOP2A (0.43) TOP2AMETALOX15L3MBTL1MEN1
SCHEMBL30589236 0.80 KDM4C (0.42) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL17891711 0.80 KDM4C (0.42) TOP2AMETP2RX7ALOX15L3MBTL1
SCHEMBL26842911 0.76 CYP19A1 (0.49) TOP2AMETALOX15L3MBTL1MEN1
SCHEMBL30071507 0.76 CYP3A4 (0.49) TOP2AMETALOX15L3MBTL1MEN1
SCHEMBL29670186 0.75 CA1 (0.46) TOP2AMETALOX15L3MBTL1MEN1

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 TOP2A 517/4885MET 2449/4885P2RX7 3612/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B TOP2A 517/4885MET 2449/4885P2RX7 3612/4885

“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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