SCHEMBL759232

SCHEMBL759232

C=[N+]([O-])c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
HPGDS O60760 2/20 0.45
LRRK2 Q5S007 1/20 0.45
PTK2 Q05397 1/20 0.45
LMNA P02545 2/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ERN1 O75460 1/20 0.44
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
F2 P00734 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL736430 0.89 ALDH1A1 (0.53) BRD4HPGDSLMNAMAPK14ALDH1A1
SCHEMBL738916 0.89 ALDH1A1 (0.53) BRD4HPGDSLMNAMAPK14ALDH1A1
SCHEMBL758810 0.87 KMT2A (0.43) LRRK2LMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL9964597 0.86 AURKA (0.51) BRD4LRRK2PTK2
SCHEMBL15493973 0.80 MAPK14 (0.51) BRD4HPGDSMAPK14SMN1; SMN2MEN1
SCHEMBL13175562 0.79 BRD4 (0.50) BRD4HPGDSMAPK14MEN1ALPL
SCHEMBL19174810 0.78 KMT2A (0.55) BRD4HPGDSLMNAALDH1A1SMN1; SMN2
SCHEMBL736448 0.77 POLB (0.50) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2473674 0.77 MEN1 (0.65) MAPK14ALDH1A1MEN1ALPLKMT2A
SCHEMBL736393 0.76 SIRT6 (0.52) BRD4LRRK2LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138373-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-20100249458-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 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-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH BRD4 4869/4885HPGDS 66/4885LRRK2 1798/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH BRD4 4869/4885HPGDS 66/4885LRRK2 1798/4885

“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.