SCHEMBL16489574

SCHEMBL16489574

Nc1cnccc1NCc1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PABPC1 P11940 1/20 0.47
KMT2A Q03164 1/20 0.47
SHMT2 P34897 1/20 0.39
RPS6KB1 P23443 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AURKA O14965 1/20 0.39
BACE1 P56817 1/20 0.39
PIM1 P11309 1/20 0.39
VNN1 O95497 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
AKT1 P31749 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
SCHEMBL10429048 0.83 ALDH1A1 (0.54) RPS6KB1ALDH1A1KDM4EHPGD
SCHEMBL16489567 0.80 KDM4E (0.54) MEN1KMT2ARPS6KB1ALDH1A1KDM4E
SCHEMBL15722540 0.78 HDAC1 (0.43) RPS6KB1AURKABACE1PIM1
SCHEMBL12658350 0.77 SHMT2 (0.48) MEN1MAPTKMT2ASHMT2RPS6KB1
SCHEMBL4718906 0.77 ASPH (0.45) VNN1KDM4E
SCHEMBL16489564 0.76 KDM4C (0.56) MEN1KMT2ABACE1ALDH1A1KDM4E
SCHEMBL16489576 0.75 MAP4K4 (0.47) MEN1MAPTKMT2ARPS6KB1PIM1
SCHEMBL13491306 0.74 MEN1 (0.54) MEN1MAPTPABPC1KMT2ARPS6KB1
SCHEMBL20831689 0.74 BACE1 (0.40) BACE1
SCHEMBL8249024 0.72 CA12 (0.49) RPS6KB1ALDH1A1KDM4EHPGDAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 MEN1 781/4885MAPT 4084/4885PABPC1 2800/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 MEN1 781/4885MAPT 4084/4885PABPC1 2800/4885

“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.