SCHEMBL16668989

SCHEMBL16668989

c1cncc(NCc2ccc3occc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
RAB9A P51151 1/20 0.54
LTA4H P09960 1/20 0.47
PDE4B Q07343 3/20 0.46
CSF1R P07333 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
HTR1B P28222 2/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30299180 1.00 NAMPT (0.55) NAMPTRAB9ALTA4HPDE4BCSF1R
SCHEMBL16668613 0.89 RAB9A (0.54) NAMPTRAB9ALTA4HPDE4BCSF1R
SCHEMBL30299258 0.89 RAB9A (0.54) NAMPTRAB9ALTA4HPDE4BCSF1R
SCHEMBL1641259 0.83 DYRK1A (0.51) NAMPTCSF1RAURKARPS6KB1HTR1B
SCHEMBL4928890 0.80 DYRK1A (0.52) NAMPTAURKARPS6KB1HTR1BBCDIN3D
SCHEMBL10054992 0.77 RAB9A (0.83) RAB9ALTA4HPDE4BHDAC1HDAC8
SCHEMBL11117178 0.74 KMT2A (0.68) RAB9ALTA4HPDE4BCSF1RHDAC1
SCHEMBL15839779 0.73 KDM4C (0.61) AURKARPS6KB1
SCHEMBL13800131 0.73 DYRK1A (0.53) HDAC1AURKARPS6KB1HTR1BDYRK1A
SCHEMBL30520281 0.73 RAB9A (0.60) RAB9ALTA4HPDE4BRPS6KB1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-09-14 US disclosed
US-11639333-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2023-05-02 US disclosed
US-20160115131-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-04-28 US disclosed
US-20150119397-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-30 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 (4 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-20160115131-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NAMPT 964/4885RAB9A 3032/4885LTA4H 2790/4885
US-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NAMPT 964/4885RAB9A 3032/4885LTA4H 2790/4885
US-11639333-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A NAMPT 964/4885RAB9A 3032/4885LTA4H 2790/4885
US-20150119397-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A NAMPT 964/4885RAB9A 3032/4885LTA4H 2790/4885

“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.