SCHEMBL8704372

SCHEMBL8704372

COc1cc2nc(O)cc(C)c2cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4D Q08499 1/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 5/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
SMARCA2 P51531 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 2/20 0.37
IGFBP5 P24593 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5362534 0.94 IGFBP5 (0.42) PDE4APDE4DACHEPOLBGAA
SCHEMBL17478798 0.81 TERT (0.44) GAALMNAKMT2AMAPTTP53
SCHEMBL11803251 0.77 ACHE (0.38) ACHEPOLBGAALMNAKMT2A
SCHEMBL11506585 0.76 TERT (0.38) GAAL3MBTL1LMNAKMT2AMAPT
SCHEMBL8703095 0.72 GAA (0.36) GAALMNAKMT2AMAPTTP53
SCHEMBL8703847 0.72 TP53 (0.39) POLBGAAL3MBTL1LMNAKMT2A
SCHEMBL6110713 0.72 L3MBTL1 (0.45) POLBGAAL3MBTL1LMNAGLA
SCHEMBL29922921 0.70 NQO2 (0.56) POLBGAAL3MBTL1KMT2AMAPT
SCHEMBL5696548 0.70 NQO2 (0.56) POLBGAAL3MBTL1KMT2AMAPT
SCHEMBL9849499 0.70 POLB (0.62) POLBGAALMNAGLAKMT2A

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
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 CN disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 WO disclosed
US-5770709-A BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 1998-06-23 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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT PDE4A 1958/4885PDE4D 2109/4885ACHE 3382/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT PDE4A 1958/4885PDE4D 2109/4885ACHE 3382/4885

“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.