SCHEMBL487353

SCHEMBL487353

B.Cc1cc(C)nc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.60
NOS2 P35228 2/20 0.60
NOS1 P29475 1/20 0.60
POLB P06746 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
UHRF1 Q96T88 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
LCK P06239 1/20 0.36
CYP1A2 P05177 3/20 0.36
NQO2 P16083 2/20 0.36
MAPK1 P28482 2/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HK1 P19367 1/20 0.35

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
SCHEMBL1050198 0.96 NOS3 (0.63) NOS3NOS2NOS1POLBAPOBEC3G
SCHEMBL7489 0.96
SCHEMBL9472907 0.96 NOS3 (0.63) NOS3NOS2NOS1POLBAPOBEC3G
Hydrogen Sulfide SCHEMBL5051773 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G
Iodide SCHEMBL20816339 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G
Bromide SCHEMBL10623440 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G
Fluoride SCHEMBL893225 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G
SCHEMBL19816355 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G
Hydrochloric Acid SCHEMBL458427 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G
SCHEMBL28385227 0.93 NOS3 (0.60) NOS3NOS2NOS1POLBAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106200-B2 Pyridine borane complexes BASF SE (DE) 2012-01-31 US disclosed
US-20110207934-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-08-25 US disclosed
EP-2066631-B1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-04-06 EP disclosed
EP-2007679-A2 IMPROVED PROCESS FOR THE SYNTHESIS AND METHANOLYSIS OF AMMONIA BORANE AND BORAZINE Purdue Research Foundation (US) 2008-12-31 EP disclosed
US-20070243122-A1 Process for the synthesis and methanolysis of ammonia borane and borazine PURDUE RESEARCH FOUNDATION 2007-10-18 US disclosed
WO-2007106459-A2 IMPROVED PROCESS FOR THE SYNTHESIS AND METHANOLYSIS OF AMMONIA BORANE AND BORAZINE PURDUE RESEARCH FOUNDATION (US) 2007-09-20 WO 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-20110207934-A1 PYRIDINE BORANE COMPLEXES NBAS, BRD8, PAXBP1 NOS3 3715/4885NOS2 3775/4885NOS1 3930/4885

“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.