SCHEMBL8080508

SCHEMBL8080508

CC(C)c1nc(Cl)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL8081171 0.84 POLB (0.34) POLBMAPTALDH1A1
SCHEMBL628550 0.80 ALDH1A1 (0.41) POLBMAPTTSHRALDH1A1NPC1
SCHEMBL7348216 0.78 MAPT (0.34) POLBMAPTTSHRALDH1A1
SCHEMBL30760538 0.78 MAPT (0.34) POLBMAPTTSHRALDH1A1
SCHEMBL15218851 0.77 POLB (0.36) POLBMAPT
SCHEMBL11677757 0.77 ATM (0.37) POLBMAPTMAPK1
SCHEMBL11674497 0.75 POLB (0.35) POLBMAPTTSHRALDH1A1NPC1
SCHEMBL56358 0.75 MAPT (0.50) POLBMAPTTSHRALDH1A1MAPK1
SCHEMBL11677762 0.74 ATM (0.40) MAPTALDH1A1NPC1MAPK1
SCHEMBL11854675 0.74 DPP4 (0.44) POLBMAPTNPC1MAPK1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
WO-2014127815-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-6025489-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0429149-B1 Tricyclic pteridinones and a process for their preparation BERLEX LAB (US) 2000-01-05 EP disclosed
US-5854419-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5602252-A Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. 1997-02-11 US disclosed
EP-0429149-A1 Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. (US) 1991-05-29 EP disclosed
US-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 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 (1 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-20130225549-A1 DIHYDROPTERIDINONES I BACE1, APP, BACE2 POLB 2404/4885MAPT 118/4885TSHR 4831/4885

“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.