SCHEMBL16489591

SCHEMBL16489591

Nc1ccncc1NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.60
KDM4E B2RXH2 1/20 0.60
KDM6B O15054 1/20 0.60
KDM4A O75164 1/20 0.60
KDM4D Q6B0I6 1/20 0.60
BACE1 P56817 1/20 0.54
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
LTA4H P09960 1/20 0.49
ADRA2C P18825 2/20 0.48
EGFR P00533 2/20 0.47
GSK3B P49841 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL26922525 0.88 LTA4H (0.56) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL16489564 0.86 KDM4C (0.56) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL11098575 0.83 ALDH1A1 (0.54) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL19771393 0.83 ALDH1A1 (0.54) KDM4CKDM4EKDM6BKDM4AKDM4D
Hydrochloric Acid SCHEMBL10508061 0.82 ALDH1A1 (0.53) KDM4CKDM4EKDM6BKDM4AKDM4D
Hydrochloric Acid SCHEMBL7652650 0.82 KDM6B (0.61) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL22191378 0.79 KDM4C (0.60) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL3884069 0.79 ADRA2C (0.64) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL30894547 0.79 ADRA2C (0.64) KDM4CKDM4EKDM6BKDM4AKDM4D
SCHEMBL3872334 0.78 LTA4H (0.60) KDM4CKDM4EBACE1HPGDMEN1

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
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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

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 KDM4C 769/4885KDM4E 1683/4885KDM6B 362/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 KDM4C 769/4885KDM4E 1683/4885KDM6B 362/4885

“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.